 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Boat_STD_B3LYPDBJ-def2SVPDr.in
 Output=25_methylisochromane_Boat_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/25_methylisochromane_Boat_STD/Gau-10594.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/25_methylisochromane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     10595.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                18-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=25_methylisochromane_Boat_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Jul 18 13:05:40 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Boat_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.556893000000      0.962771000000     -0.130925000000
  C                                                 2.806469000000     -0.381564000000      0.128707000000
  C                                                 1.251477000000      1.398833000000     -0.297104000000
  C                                                 0.177898000000      0.511952000000     -0.211676000000
  C                                                 0.433041000000     -0.835657000000      0.047582000000
  C                                                 1.746757000000     -1.271183000000      0.213760000000
  C                                                -1.245374000000      1.001383000000     -0.374974000000
  C                                                -2.153843000000     -0.180074000000     -0.705730000000
  O                                                -1.975330000000     -1.227911000000      0.235605000000
  C                                                -0.702105000000     -1.829642000000      0.110251000000
  H                                                 3.377111000000      1.665240000000     -0.203600000000
  H                                                 3.821503000000     -0.731857000000      0.264537000000
  H                                                 1.055538000000      2.445124000000     -0.502408000000
  H                                                 1.938106000000     -2.319299000000      0.415829000000
  H                                                -1.275680000000      1.696610000000     -1.220779000000
  C                                                -1.728541000000      1.739012000000      0.880156000000
  H                                                -1.947031000000     -0.549488000000     -1.719780000000
  H                                                -3.204706000000      0.105294000000     -0.652132000000
  H                                                -0.679840000000     -2.462779000000     -0.790780000000
  H                                                -0.587050000000     -2.485409000000      0.974413000000
  H                                                -1.772163000000      1.053131000000      1.726763000000
  H                                                -2.725724000000      2.156512000000      0.723367000000
  H                                                -1.053454000000      2.555217000000      1.139441000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Jul 18 13:05:40 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391738   0.000000
     3  C    1.386318   2.401901   0.000000
     4  C    2.422679   2.797073   1.395144   0.000000
     5  C    2.788719   2.417838   2.404494   1.395838   0.000000
     6  C    2.401183   1.386234   2.763199   2.412858   1.393968
     7  C    3.810287   4.310878   2.529485   1.513906   2.523955
     8  C    4.881345   5.034042   3.775729   2.481936   2.772947
     9  O    5.047225   4.857297   4.194740   2.804207   2.447339
    10  C    4.298465   3.795703   3.795454   2.522123   1.510129
    11  H    1.082359   2.150690   2.144303   3.400750   3.871063
    12  H    2.151138   1.082335   3.385309   3.879394   3.396987
    13  H    2.142297   3.384410   1.084097   2.142879   3.384304
    14  H    3.384349   2.142734   3.847628   3.392356   2.145232
    15  H    4.051533   4.775339   2.707096   2.129458   3.307695
    16  C    4.470993   5.062394   3.222138   2.516403   3.463313
    17  H    5.009663   5.103025   4.006297   2.813602   2.978289
    18  H    5.848329   6.081198   4.653693   3.435314   3.822066
    19  H    4.758807   4.163083   4.345774   3.149619   2.142167
    20  H    4.795424   4.081342   4.481548   3.313024   2.149717
    21  H    4.711677   5.057272   3.654852   2.802349   3.354116
    22  H    5.482780   6.115604   4.175352   3.465531   4.403130
    23  H    4.145397   4.954318   2.951879   2.741656   3.860032
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.803158   0.000000
     8  C    4.153392   1.526616   0.000000
     9  O    3.722403   2.423921   1.419838   0.000000
    10  C    2.513865   2.923232   2.344023   1.413823   0.000000
    11  H    3.384498   4.673055   5.852245   6.100152   5.380772
    12  H    2.144300   5.393175   6.078704   5.818091   4.657463
    13  H    3.847287   2.719342   4.151281   4.818922   4.662433
    14  H    1.084432   4.667638   4.751655   4.066767   2.702565
    15  H    4.472228   1.095283   2.135038   3.341166   3.812490
    16  C    4.645757   1.533916   2.525630   3.046142   3.792310
    17  H    4.231252   2.169338   1.098879   2.069925   2.556883
    18  H    5.211664   2.172274   1.090239   2.019128   3.253954
    19  H    2.883986   3.534564   2.718577   2.063167   1.101460
    20  H    2.738538   3.796308   3.254580   2.013569   1.090891
    21  H    4.480448   2.167368   2.753815   2.732761   3.473977
    22  H    5.657904   2.175342   2.798035   3.500760   4.512247
    23  H    4.831087   2.178230   3.478121   3.997353   4.517706
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.482481   0.000000
    13  H    2.467226   4.281586   0.000000
    14  H    4.281469   2.467802   4.931715   0.000000
    15  H    4.762783   5.838227   2.551648   5.397632   0.000000
    16  C    5.219928   6.106322   3.187660   5.489061   2.149607
    17  H    5.962408   6.103012   4.411929   4.773609   2.396804
    18  H    6.779006   7.135034   4.862808   5.785128   2.564525
    19  H    5.817574   4.936788   5.213656   2.886197   4.223795
    20  H    5.859196   4.797313   5.402708   2.591529   4.773087
    21  H    5.533173   6.050900   3.860407   5.182464   3.057542
    22  H    6.192351   7.170731   3.985444   6.471381   2.468571
    23  H    4.714417   5.944369   2.675002   5.764890   2.521355
                   16         17         18         19         20
    16  C    0.000000
    17  H    3.470538   0.000000
    18  H    2.682537   1.774925   0.000000
    19  H    4.641858   2.475782   3.604049   0.000000
    20  H    4.376942   3.585528   4.026104   1.767775   0.000000
    21  H    1.090449   3.804947   2.934232   4.460136   3.806808
    22  H    1.092366   3.727971   2.515734   5.274100   5.117068
    23  H    1.090487   4.314257   3.720180   5.389399   5.064847
                   21         22         23
    21  H    0.000000
    22  H    1.770178   0.000000
    23  H    1.765716   1.768776   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.64D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9809331           1.0075309           0.7304582
 Leave Link  202 at Sun Jul 18 13:05:41 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   341 symmetry adapted cartesian basis functions of A   symmetry.
 There are   319 symmetry adapted basis functions of A   symmetry.
   319 basis functions,   475 primitive gaussians,   341 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       608.7582623565 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0438839307 Hartrees.
 Nuclear repulsion after empirical dispersion term =      608.7143784258 Hartrees.
 Leave Link  301 at Sun Jul 18 13:05:42 2021, MaxMem=  5637144576 cpu:               6.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   319 RedAO= T EigKep=  4.90D-06  NBF=   319
 NBsUse=   319 1.00D-06 EigRej= -1.00D+00 NBFU=   319
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   341   341   341   341   341 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Sun Jul 18 13:05:43 2021, MaxMem=  5637144576 cpu:               4.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Jul 18 13:05:43 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Boat_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Jul 18 13:05:45 2021, MaxMem=  5637144576 cpu:               8.9 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636905899 LenY=  5636789177
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.239055177223    
 DIIS: error= 3.29D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.239055177223     IErMin= 1 ErrMin= 3.29D-03
 ErrMax= 3.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.54D-03 BMatP= 7.54D-03
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.29D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.230 Goal=   None    Shift=    0.000
 GapD=    0.230 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.63D-02 MaxDP=7.28D-01              OVMax= 1.45D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.18D-02    CP:  1.36D+00
 E= -463.245719291488     Delta-E=       -0.006664114266 Rises=F Damp=F
 DIIS: error= 5.39D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.245719291488     IErMin= 2 ErrMin= 5.39D-04
 ErrMax= 5.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-04 BMatP= 7.54D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.39D-03
 Coeff-Com:  0.425D-01 0.957D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.423D-01 0.958D+00
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=7.76D-04 MaxDP=3.76D-02 DE=-6.66D-03 OVMax= 8.18D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.82D-04    CP:  1.37D+00  1.04D+00
 E= -463.245523305870     Delta-E=        0.000195985619 Rises=F Damp=F
 DIIS: error= 8.23D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -463.245719291488     IErMin= 2 ErrMin= 5.39D-04
 ErrMax= 8.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.58D-04 BMatP= 2.69D-04
 IDIUse=3 WtCom= 2.59D-01 WtEn= 7.41D-01
 Coeff-Com: -0.139D-01 0.597D+00 0.417D+00
 Coeff-En:   0.000D+00 0.635D+00 0.365D+00
 Coeff:     -0.359D-02 0.625D+00 0.379D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.28D-04 MaxDP=4.33D-03 DE= 1.96D-04 OVMax= 4.66D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.56D-05    CP:  1.37D+00  1.04D+00  7.00D-01
 E= -463.245944278416     Delta-E=       -0.000420972546 Rises=F Damp=F
 DIIS: error= 6.95D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.245944278416     IErMin= 4 ErrMin= 6.95D-05
 ErrMax= 6.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.19D-06 BMatP= 2.69D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.731D-02 0.221D+00 0.127D+00 0.659D+00
 Coeff:     -0.731D-02 0.221D+00 0.127D+00 0.659D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.08D-05 MaxDP=8.91D-04 DE=-4.21D-04 OVMax= 5.52D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.50D-05    CP:  1.37D+00  1.04D+00  6.65D-01  9.98D-01
 E= -463.245948061867     Delta-E=       -0.000003783452 Rises=F Damp=F
 DIIS: error= 3.39D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.245948061867     IErMin= 5 ErrMin= 3.39D-05
 ErrMax= 3.39D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-07 BMatP= 4.19D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-02 0.306D-01 0.100D-01 0.301D+00 0.660D+00
 Coeff:     -0.186D-02 0.306D-01 0.100D-01 0.301D+00 0.660D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.88D-05 MaxDP=7.03D-04 DE=-3.78D-06 OVMax= 3.04D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.48D-06    CP:  1.37D+00  1.04D+00  6.75D-01  9.95D-01  8.10D-01
 E= -463.245948594033     Delta-E=       -0.000000532166 Rises=F Damp=F
 DIIS: error= 1.05D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.245948594033     IErMin= 6 ErrMin= 1.05D-05
 ErrMax= 1.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.54D-08 BMatP= 5.71D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.671D-03 0.628D-02-0.878D-03 0.134D+00 0.368D+00 0.494D+00
 Coeff:     -0.671D-03 0.628D-02-0.878D-03 0.134D+00 0.368D+00 0.494D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=4.45D-06 MaxDP=1.29D-04 DE=-5.32D-07 OVMax= 1.53D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.27D-06    CP:  1.37D+00  1.04D+00  6.77D-01  9.95D-01  8.11D-01
                    CP:  7.08D-01
 E= -463.245948666380     Delta-E=       -0.000000072347 Rises=F Damp=F
 DIIS: error= 3.98D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.245948666380     IErMin= 7 ErrMin= 3.98D-06
 ErrMax= 3.98D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-08 BMatP= 7.54D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.858D-04-0.153D-02-0.246D-02 0.284D-01 0.109D+00 0.307D+00
 Coeff-Com:  0.560D+00
 Coeff:     -0.858D-04-0.153D-02-0.246D-02 0.284D-01 0.109D+00 0.307D+00
 Coeff:      0.560D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.71D-06 MaxDP=6.97D-05 DE=-7.23D-08 OVMax= 4.86D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.46D-07    CP:  1.37D+00  1.04D+00  6.76D-01  1.00D+00  8.11D-01
                    CP:  7.35D-01  7.19D-01
 E= -463.245948679477     Delta-E=       -0.000000013097 Rises=F Damp=F
 DIIS: error= 5.13D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.245948679477     IErMin= 8 ErrMin= 5.13D-07
 ErrMax= 5.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-10 BMatP= 1.17D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.711D-05-0.964D-03-0.871D-03 0.216D-02 0.198D-01 0.954D-01
 Coeff-Com:  0.236D+00 0.648D+00
 Coeff:      0.711D-05-0.964D-03-0.871D-03 0.216D-02 0.198D-01 0.954D-01
 Coeff:      0.236D+00 0.648D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.16D-07 MaxDP=7.35D-06 DE=-1.31D-08 OVMax= 4.98D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.10D-07    CP:  1.37D+00  1.04D+00  6.76D-01  1.00D+00  8.14D-01
                    CP:  7.42D-01  7.17D-01  8.00D-01
 E= -463.245948679796     Delta-E=       -0.000000000319 Rises=F Damp=F
 DIIS: error= 1.38D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.245948679796     IErMin= 9 ErrMin= 1.38D-07
 ErrMax= 1.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-11 BMatP= 3.39D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.905D-05-0.369D-03-0.252D-03-0.862D-03 0.242D-02 0.259D-01
 Coeff-Com:  0.791D-01 0.312D+00 0.583D+00
 Coeff:      0.905D-05-0.369D-03-0.252D-03-0.862D-03 0.242D-02 0.259D-01
 Coeff:      0.791D-01 0.312D+00 0.583D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=9.05D-08 MaxDP=5.20D-06 DE=-3.19D-10 OVMax= 2.16D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.33D-08    CP:  1.37D+00  1.04D+00  6.76D-01  1.00D+00  8.14D-01
                    CP:  7.44D-01  7.23D-01  8.02D-01  7.74D-01
 E= -463.245948679822     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 6.06D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -463.245948679822     IErMin=10 ErrMin= 6.06D-08
 ErrMax= 6.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.78D-12 BMatP= 3.21D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.474D-05-0.124D-03-0.632D-04-0.716D-03-0.566D-03 0.527D-02
 Coeff-Com:  0.224D-01 0.114D+00 0.331D+00 0.529D+00
 Coeff:      0.474D-05-0.124D-03-0.632D-04-0.716D-03-0.566D-03 0.527D-02
 Coeff:      0.224D-01 0.114D+00 0.331D+00 0.529D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.26D-08 MaxDP=9.94D-07 DE=-2.57D-11 OVMax= 1.12D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.57D-08    CP:  1.37D+00  1.04D+00  6.76D-01  1.00D+00  8.14D-01
                    CP:  7.44D-01  7.24D-01  8.03D-01  7.74D-01  7.61D-01
 E= -463.245948679870     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 2.51D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -463.245948679870     IErMin=11 ErrMin= 2.51D-08
 ErrMax= 2.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-13 BMatP= 4.78D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-05-0.199D-04-0.181D-05-0.315D-03-0.714D-03-0.481D-03
 Coeff-Com:  0.255D-02 0.249D-01 0.115D+00 0.304D+00 0.554D+00
 Coeff:      0.151D-05-0.199D-04-0.181D-05-0.315D-03-0.714D-03-0.481D-03
 Coeff:      0.255D-02 0.249D-01 0.115D+00 0.304D+00 0.554D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.08D-08 MaxDP=4.17D-07 DE=-4.80D-11 OVMax= 3.77D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.98D-09    CP:  1.37D+00  1.04D+00  6.76D-01  1.00D+00  8.14D-01
                    CP:  7.44D-01  7.24D-01  8.04D-01  7.81D-01  7.76D-01
                    CP:  7.73D-01
 E= -463.245948679833     Delta-E=        0.000000000036 Rises=F Damp=F
 DIIS: error= 9.14D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -463.245948679870     IErMin=12 ErrMin= 9.14D-09
 ErrMax= 9.14D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-14 BMatP= 5.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.218D-06 0.387D-05 0.540D-05-0.736D-04-0.289D-03-0.812D-03
 Coeff-Com: -0.124D-02-0.383D-03 0.200D-01 0.896D-01 0.275D+00 0.618D+00
 Coeff:      0.218D-06 0.387D-05 0.540D-05-0.736D-04-0.289D-03-0.812D-03
 Coeff:     -0.124D-02-0.383D-03 0.200D-01 0.896D-01 0.275D+00 0.618D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.79D-09 MaxDP=1.52D-07 DE= 3.62D-11 OVMax= 8.49D-08

 SCF Done:  E(RB3LYP) =  -463.245948680     A.U. after   12 cycles
            NFock= 12  Conv=0.38D-08     -V/T= 2.0114
 KE= 4.580453579870D+02 PE=-2.291078766916D+03 EE= 7.610730818230D+02
 Leave Link  502 at Sun Jul 18 13:08:43 2021, MaxMem=  5637144576 cpu:            1376.2 elap:             177.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   319
 NBasis=   319 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    319 NOA=    40 NOB=    40 NVA=   279 NVB=   279

 **** Warning!!: The largest alpha MO coefficient is  0.66730287D+02

 Leave Link  801 at Sun Jul 18 13:08:43 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6946 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.86D-13 8.33D-09 XBig12= 1.00D+00 5.39D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.86D-13 8.33D-09 XBig12= 4.04D-01 1.23D-01.
     11 vectors produced by pass  2 Test12= 1.86D-13 8.33D-09 XBig12= 5.77D-02 5.33D-02.
     11 vectors produced by pass  3 Test12= 1.86D-13 8.33D-09 XBig12= 4.20D-03 1.82D-02.
     11 vectors produced by pass  4 Test12= 1.86D-13 8.33D-09 XBig12= 5.33D-04 6.15D-03.
     11 vectors produced by pass  5 Test12= 1.86D-13 8.33D-09 XBig12= 2.05D-05 7.02D-04.
     11 vectors produced by pass  6 Test12= 1.86D-13 8.33D-09 XBig12= 5.26D-07 1.40D-04.
     11 vectors produced by pass  7 Test12= 1.86D-13 8.33D-09 XBig12= 1.45D-08 1.57D-05.
     11 vectors produced by pass  8 Test12= 1.86D-13 8.33D-09 XBig12= 2.42D-10 3.51D-06.
      8 vectors produced by pass  9 Test12= 1.86D-13 8.33D-09 XBig12= 2.81D-12 3.17D-07.
      2 vectors produced by pass 10 Test12= 1.86D-13 8.33D-09 XBig12= 4.14D-14 3.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.149366D+03
      2 -0.248291D+01  0.130373D+03
      3  0.276215D+01 -0.399227D+01  0.853784D+02
 Isotropic polarizability for W=    0.085645      121.71 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.143168D+03  0.159508D+02  0.345513D+01
      2  -0.723130D+02  0.402270D+01  0.101431D+02
      3  -0.708551D+02 -0.199735D+02 -0.135983D+02
      4   0.519241D+02  0.658869D+02 -0.287769D+02
      5   0.227891D+01 -0.301979D+02 -0.221670D+02
      6  -0.141979D+02  0.772613D+01  0.151621D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.220813D+01 -0.565329D+01 -0.114819D+02
      2   0.763817D+01 -0.126305D+02 -0.696514D+01
      3   0.511232D+01 -0.501485D+02  0.946369D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.142108D+01 -0.241700D+01 -0.351356D+02
      2   0.117621D+01 -0.145790D+02  0.486880D+02
      3   0.359734D+02 -0.138200D+03  0.160001D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.193866D+01 -0.651318D+00  0.169712D+01
      2  -0.651318D+00  0.219116D+01  0.308944D+01
      3   0.169712D+01  0.308944D+01 -0.121115D+01
 OR G Eigenvalues:    -4.3663    -0.6258     4.0334  Iso=     0.3196
 Eigenvectors:
   (1)  -0.595585  -0.390016   0.702258
   (2)   0.801423  -0.348101   0.486360
   (3)   0.054769   0.852475   0.519891
 w=    0.085645 a.u., Optical Rotation Beta=      0.3196 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =      102.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   51040 ScalPx= 4.78D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.40D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.10D-14 2.78D-09 XBig12= 1.00D+00 2.87D-01.
     30 vectors produced by pass  1 Test12= 3.10D-14 2.78D-09 XBig12= 4.03D-02 5.33D-02.
     30 vectors produced by pass  2 Test12= 3.10D-14 2.78D-09 XBig12= 1.87D-03 5.60D-03.
     30 vectors produced by pass  3 Test12= 3.10D-14 2.78D-09 XBig12= 3.22D-05 5.61D-04.
     30 vectors produced by pass  4 Test12= 3.10D-14 2.78D-09 XBig12= 2.49D-07 7.04D-05.
     30 vectors produced by pass  5 Test12= 3.10D-14 2.78D-09 XBig12= 7.63D-10 2.67D-06.
     30 vectors produced by pass  6 Test12= 3.10D-14 2.78D-09 XBig12= 3.16D-12 1.81D-07.
     11 vectors produced by pass  7 Test12= 3.10D-14 2.78D-09 XBig12= 6.97D-15 9.35D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.60D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.60D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.43D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149366D+03 -0.248291D+01  0.276215D+01
      2  -0.248291D+01  0.130373D+03 -0.399227D+01
      3   0.276215D+01 -0.399227D+01  0.853784D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.220813D+01 -0.565329D+01 -0.114819D+02
      2   0.763817D+01 -0.126305D+02 -0.696514D+01
      3   0.511232D+01 -0.501485D+02  0.946369D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.143168D+03  0.159508D+02  0.345513D+01
      2  -0.723130D+02  0.402270D+01  0.101431D+02
      3  -0.708551D+02 -0.199735D+02 -0.135983D+02
      4   0.519241D+02  0.658869D+02 -0.287769D+02
      5   0.227891D+01 -0.301979D+02 -0.221670D+02
      6  -0.141979D+02  0.772613D+01  0.151621D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.169282D+01  0.177509D+01 -0.275027D+00  0.454603D+01 -0.108467D+01
      2   0.177509D+01  0.180057D+01 -0.529874D+00 -0.108467D+01  0.240547D+01
      3  -0.275027D+00 -0.529874D+00  0.186125D+01  0.970040D+00  0.850891D+00
                 6             7             8             9            10 
      1   0.970040D+00 -0.150592D+01  0.801970D+00  0.414219D+01  0.483328D+01
      2   0.850891D+00  0.801970D+00  0.744350D+00  0.285843D+01 -0.108857D+01
      3   0.129032D+01  0.414219D+01  0.285843D+01 -0.475829D+00 -0.453981D+00
                11            12            13            14            15 
      1  -0.108857D+01 -0.453981D+00 -0.231133D+01 -0.156214D+01  0.106634D+01
      2   0.251479D+01 -0.159653D+00 -0.156214D+01 -0.259013D+01 -0.674463D+00
      3  -0.159653D+00  0.195726D+01  0.106634D+01 -0.674463D+00 -0.474214D+00
                16            17            18            19            20 
      1   0.156772D+00  0.127286D+01  0.506693D+01  0.591225D+00 -0.509391D+01
      2   0.127286D+01  0.164493D+00 -0.134469D+01 -0.509391D+01  0.101268D+00
      3   0.506693D+01 -0.134469D+01  0.116060D+01  0.189013D+00 -0.152963D+00
                21            22            23            24            25 
      1   0.189013D+00  0.479462D+01 -0.120957D+01 -0.148841D+00 -0.698338D+00
      2  -0.152963D+00 -0.120957D+01  0.177873D+01  0.100390D+01 -0.105237D+01
      3  -0.440439D+00 -0.148841D+00  0.100390D+01  0.149956D+01  0.501591D-01
                26            27            28            29            30 
      1  -0.105237D+01  0.501591D-01 -0.128782D+02  0.619376D+01 -0.229607D+00
      2   0.125882D+01  0.348641D+01  0.619376D+01 -0.618301D+01  0.219712D+00
      3   0.348641D+01 -0.220351D+01 -0.229607D+00  0.219712D+00 -0.153975D+01
                31            32            33            34            35 
      1   0.993793D+01  0.140873D+01 -0.683889D+00 -0.191336D+01 -0.947868D+00
      2   0.140873D+01  0.312799D+01 -0.272304D+00 -0.947868D+00 -0.255646D+00
      3  -0.683889D+00 -0.272304D+00  0.447205D+00 -0.315123D+01  0.175400D+01
                36            37            38            39            40 
      1  -0.315123D+01 -0.165936D+01 -0.493181D+01  0.477308D+00 -0.135613D+02
      2   0.175400D+01 -0.493181D+01 -0.666797D+01  0.334449D+00 -0.264132D+01
      3  -0.927881D+00  0.477308D+00  0.334449D+00 -0.953870D+00 -0.446314D+00
                41            42            43            44            45 
      1  -0.264132D+01 -0.446314D+00  0.308258D+01 -0.180881D+00 -0.205992D+01
      2  -0.646559D+01 -0.248334D+00 -0.180881D+00 -0.412320D+00 -0.266029D+01
      3  -0.248334D+00 -0.830746D+00 -0.205992D+01 -0.266029D+01  0.565290D+00
                46            47            48            49            50 
      1  -0.306192D+01  0.398361D+01 -0.274792D+00 -0.390289D+01  0.387700D+00
      2   0.398361D+01  0.255936D+01  0.400874D+00  0.387700D+00 -0.103472D+01
      3  -0.274792D+00  0.400874D+00 -0.229318D+00  0.535808D-01 -0.865158D+00
                51            52            53            54            55 
      1   0.535808D-01  0.377119D+00  0.551142D+00  0.138159D+01  0.278171D+01
      2  -0.865158D+00  0.551142D+00 -0.144800D+01 -0.346579D+01 -0.123008D+01
      3  -0.150155D+01  0.138159D+01 -0.346579D+01  0.192336D+01 -0.280139D+00
                56            57            58            59            60 
      1  -0.123008D+01 -0.280139D+00 -0.322915D+01  0.484768D+01  0.134987D+01
      2   0.334874D+01  0.164922D+01  0.484768D+01 -0.217367D+01  0.212709D+01
      3   0.164922D+01  0.194640D+01  0.134987D+01  0.212709D+01 -0.406611D+01
                61            62            63            64            65 
      1  -0.227670D+01  0.211760D+01  0.363683D+01  0.684886D+01 -0.248360D+01
      2   0.211760D+01  0.847574D+00 -0.517415D+01 -0.248360D+01 -0.178693D+01
      3   0.363683D+01 -0.517415D+01  0.167058D+01 -0.109693D-01 -0.100073D+01
                66            67            68            69            70 
      1  -0.109693D-01 -0.400119D+01 -0.813394D+00 -0.106156D+01 -0.441311D+00
      2  -0.100073D+01 -0.813394D+00  0.355391D+00 -0.146170D+01 -0.426472D+00
      3  -0.217862D+01 -0.106156D+01 -0.146170D+01  0.156825D+01  0.159277D+00
                71            72            73            74            75 
      1  -0.426472D+00  0.159277D+00 -0.582837D+01 -0.798020D+00  0.105571D+01
      2  -0.101003D+01  0.357457D+01 -0.798020D+00  0.126166D+01  0.912057D+00
      3   0.357457D+01  0.653239D+01  0.105571D+01  0.912057D+00  0.207295D+00
                76            77            78            79            80 
      1   0.590414D+00 -0.181386D+01  0.567056D+00  0.118937D+01 -0.808185D-01
      2  -0.181386D+01 -0.313830D+01  0.117281D+01 -0.808185D-01  0.127793D+01
      3   0.567056D+00  0.117281D+01  0.178411D+00 -0.134551D+01 -0.200889D+01
                81            82            83            84            85 
      1  -0.134551D+01  0.312495D+01  0.542350D+00  0.417978D-01  0.231866D+01
      2  -0.200889D+01  0.542350D+00 -0.696957D+00 -0.299085D+00  0.447580D+01
      3   0.246348D+00  0.417978D-01 -0.299085D+00 -0.600844D+00  0.518233D+00
                86            87            88            89            90 
      1   0.447580D+01  0.518233D+00  0.666374D+00  0.111343D+01  0.136426D+01
      2   0.963424D+01  0.691457D+00  0.111343D+01  0.238388D+01  0.671085D+01
      3   0.691457D+00  0.377494D+01  0.136426D+01  0.671085D+01  0.758250D+00
                91            92            93            94            95 
      1   0.805406D+01  0.455125D+01 -0.391928D+00  0.461439D+01  0.428128D+01
      2   0.455125D+01  0.319429D+01 -0.231747D+00  0.428128D+01  0.452626D+01
      3  -0.391928D+00 -0.231747D+00  0.686538D+00 -0.555280D+00 -0.454299D+00
                96            97            98            99           100 
      1  -0.555280D+00 -0.373229D+00 -0.431307D+00  0.105275D+00  0.125589D+02
      2  -0.454299D+00 -0.431307D+00 -0.672352D+00  0.139471D+00 -0.302040D+01
      3   0.621215D+00  0.105275D+00  0.139471D+00 -0.141038D+00  0.127941D+01
               101           102           103           104           105 
      1  -0.302040D+01  0.127941D+01 -0.308361D+01  0.241361D+01 -0.606338D+00
      2   0.144385D+01 -0.314924D+00  0.241361D+01 -0.142105D+01  0.316264D+00
      3  -0.314924D+00  0.972002D+00 -0.606338D+00  0.316264D+00 -0.377486D+00
               106           107           108           109           110 
      1   0.158038D+01 -0.590211D+00  0.248585D+00 -0.493263D+00  0.132460D+01
      2  -0.590211D+00  0.419945D+00 -0.145602D+00  0.132460D+01 -0.960764D+00
      3   0.248585D+00 -0.145602D+00  0.209319D+00 -0.219287D+00  0.275000D+00
               111           112           113           114           115 
      1  -0.219287D+00  0.113402D+01 -0.479157D+00  0.354148D-01 -0.197402D+00
      2   0.275000D+00 -0.479157D+00  0.975301D+01 -0.175381D+01  0.268078D+00
      3  -0.102158D+00  0.354148D-01 -0.175381D+01  0.113909D+01  0.700233D-01
               116           117           118           119           120 
      1   0.268078D+00  0.700233D-01  0.112697D+01 -0.175320D+01  0.378989D+00
      2  -0.193349D+01  0.473459D+00 -0.175320D+01  0.174783D+01 -0.357350D+00
      3   0.473459D+00 -0.294513D+00  0.378989D+00 -0.357350D+00  0.323628D+00
               121           122           123           124           125 
      1  -0.178383D+01  0.253273D+01 -0.486306D+00  0.213915D+00 -0.548373D+00
      2   0.253273D+01 -0.101247D+02  0.175580D+01 -0.548373D+00  0.192616D+01
      3  -0.486306D+00  0.175580D+01 -0.114301D+01  0.231738D+00 -0.523336D+00
               126           127           128           129           130 
      1   0.231738D+00 -0.375762D+00  0.988898D+00 -0.114560D+01  0.256500D+01
      2  -0.523336D+00  0.988898D+00 -0.607922D+00  0.104997D+00 -0.210760D+01
      3   0.295508D+00 -0.114560D+01  0.104997D+00 -0.686645D+00  0.528515D+00
               131           132           133           134           135 
      1  -0.210760D+01  0.528515D+00 -0.186331D+01  0.929408D+00 -0.168132D+01
      2   0.459279D+01 -0.256522D+01  0.929408D+00 -0.298381D+01  0.342519D+01
      3  -0.256522D+01  0.295739D+01 -0.168132D+01  0.342519D+01 -0.533474D+01
               136           137           138           139           140 
      1   0.627149D+01 -0.523465D+01  0.369730D-01 -0.247378D+01 -0.198123D+01
      2  -0.523465D+01 -0.856324D+00 -0.215224D+01 -0.198123D+01 -0.104286D+01
      3   0.369730D-01 -0.215224D+01 -0.132991D+01 -0.235409D+01 -0.127866D+01
               141           142           143           144           145 
      1  -0.235409D+01  0.481793D+01 -0.409772D+01 -0.223699D+01 -0.564983D+00
      2  -0.127866D+01 -0.409772D+01  0.674792D+00  0.376168D+01 -0.911351D-01
      3   0.342942D+01 -0.223699D+01  0.376168D+01 -0.990106D+00 -0.998466D+00
               146           147           148           149           150 
      1  -0.911351D-01 -0.998466D+00 -0.119206D+00 -0.193450D+00 -0.356355D+00
      2   0.563262D+00  0.295009D+00 -0.193450D+00 -0.147351D+01 -0.167783D+01
      3   0.295009D+00  0.119284D+01 -0.356355D+00 -0.167783D+01 -0.234200D+01
               151           152           153           154           155 
      1  -0.140684D+01 -0.261979D+00 -0.174316D+01 -0.121511D+02  0.143847D+01
      2  -0.261979D+00 -0.168061D+01 -0.195584D+01  0.143847D+01 -0.120264D+01
      3  -0.174316D+01 -0.195584D+01 -0.906394D+01 -0.112782D+01  0.123231D+00
               156           157           158           159           160 
      1  -0.112782D+01  0.249085D+01 -0.150176D+01  0.376765D+00  0.343649D+00
      2   0.123231D+00 -0.150176D+01  0.878768D+00  0.583917D-02  0.581664D-01
      3  -0.109458D+01  0.376765D+00  0.583917D-02  0.721295D-01 -0.132803D+01
               161           162           163           164           165 
      1   0.581664D-01 -0.132803D+01 -0.765068D+00 -0.113678D+01 -0.976842D+00
      2   0.260481D+00 -0.419808D-01 -0.113678D+01  0.249827D+00 -0.678627D-01
      3  -0.419808D-01 -0.605782D+00 -0.976842D+00 -0.678627D-01 -0.291672D+00
               166           167           168           169           170 
      1  -0.178970D+01 -0.190961D+01 -0.486046D+00 -0.277955D+01 -0.140461D+01
      2  -0.190961D+01 -0.787959D+01 -0.293562D+01 -0.140461D+01 -0.601025D+01
      3  -0.486046D+00 -0.293562D+01 -0.217094D+01 -0.948773D+00 -0.466872D+01
               171           172           173           174           175 
      1  -0.948773D+00 -0.234789D-02 -0.480191D+00  0.850305D+00 -0.142763D+01
      2  -0.466872D+01 -0.480191D+00  0.699320D+00 -0.302801D+00 -0.151267D+01
      3  -0.421212D+01  0.850305D+00 -0.302801D+00  0.162574D+00  0.279194D+00
               176           177           178           179           180 
      1  -0.151267D+01  0.279194D+00  0.169057D+01  0.812824D+00 -0.678109D+00
      2  -0.655159D+01  0.284353D+01  0.812824D+00  0.440805D+01 -0.419437D+01
      3   0.284353D+01 -0.248391D+01 -0.678109D+00 -0.419437D+01  0.407681D+01
               181           182           183           184           185 
      1  -0.871609D+00  0.194629D-01  0.805337D+00 -0.904825D+00  0.172774D+00
      2   0.194629D-01  0.938745D-01  0.307329D+00  0.172774D+00 -0.165572D+01
      3   0.805337D+00  0.307329D+00 -0.508605D-01  0.898129D+00  0.103463D+01
               186           187           188           189           190 
      1   0.898129D+00  0.101656D+01  0.396533D+00 -0.100811D+01 -0.107373D+02
      2   0.103463D+01  0.396533D+00  0.145769D+01 -0.124386D+01  0.492248D+01
      3  -0.308448D+01 -0.100811D+01 -0.124386D+01  0.553472D+01  0.828346D+00
               191           192           193           194           195 
      1   0.492248D+01  0.828346D+00  0.382218D+01 -0.282815D+01 -0.512233D-01
      2  -0.326153D+01 -0.461683D+00 -0.282815D+01  0.297176D+01  0.400644D+00
      3  -0.461683D+00 -0.128451D+01 -0.512233D-01  0.400644D+00  0.268965D+00
               196           197           198           199           200 
      1  -0.167221D+01  0.984487D+00 -0.907305D+00  0.150504D+01  0.160238D+01
      2   0.984487D+00 -0.804134D+00  0.190079D+00  0.160238D+01  0.264540D+01
      3  -0.907305D+00  0.190079D+00 -0.150402D+00  0.441272D+00  0.140904D+01
               201           202           203           204           205 
      1   0.441272D+00  0.177433D+01  0.111828D+01  0.593109D+00 -0.705415D-02
      2   0.140904D+01  0.111828D+01  0.552698D+01  0.198454D+01  0.716122D+00
      3   0.147337D+01  0.593109D+00  0.198454D+01  0.122753D+01  0.631596D+00
               206           207 
      1   0.716122D+00  0.631596D+00
      2   0.138645D+01  0.105337D+01
      3   0.105337D+01  0.142669D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.683041D+00 -0.833504D+00 -0.263388D+01 -0.178326D+01  0.101234D+01
      2  -0.137333D+01 -0.662781D+00  0.469222D+01  0.276594D+01  0.213940D+01
      3  -0.446076D+01 -0.127879D+02  0.135965D+01  0.744331D+01 -0.162039D+00
                 6             7             8             9            10 
      1  -0.316657D+00 -0.804608D+01  0.615524D+01 -0.235831D+01 -0.443875D+00
      2   0.429272D+01  0.143715D+01  0.111043D+02 -0.198510D+01  0.582722D+00
      3  -0.181777D+01 -0.128613D+01 -0.316852D+01 -0.425620D+01  0.407029D+01
                11            12            13            14            15 
      1  -0.427423D+00  0.126247D+01 -0.177201D+00  0.193522D+01  0.745993D+00
      2  -0.280545D+00  0.587670D+01  0.367259D+01 -0.989854D+00 -0.205513D+01
      3  -0.103479D+02  0.685017D+00  0.116488D+02 -0.595003D+00  0.244522D+01
                16            17            18            19            20 
      1   0.507896D+01  0.110528D+02 -0.137031D+01  0.571069D+00  0.934042D+00
      2   0.837901D+01 -0.633235D+01  0.317704D+01  0.283548D+01 -0.337966D+01
      3  -0.328533D+01  0.193316D+01  0.187013D+01  0.498104D+01 -0.639142D+01
                21            22            23            24            25 
      1   0.183178D+01  0.151892D+00 -0.483590D+00 -0.271724D+01  0.266681D+01
      2  -0.836048D+00 -0.199625D+01 -0.239198D+00  0.286594D+01 -0.142655D+02
      3   0.247458D+01  0.440528D+01 -0.850274D+01 -0.457887D+00  0.287599D+01
                26            27            28            29            30 
      1   0.455608D+00  0.143952D+01 -0.757690D+00 -0.506902D+00  0.122359D+01
      2   0.534941D+01 -0.401149D+01 -0.127919D+01  0.260295D+01 -0.223907D+01
      3  -0.243150D+01 -0.784837D+01 -0.925621D+00  0.121166D+02 -0.100666D+01
                31            32            33            34            35 
      1  -0.643262D+00  0.219289D+01 -0.480045D+00  0.256360D+01  0.926275D+01
      2   0.245470D+01 -0.125145D+01 -0.653079D-01 -0.149464D+02  0.162886D+01
      3   0.132742D+02 -0.126477D+02 -0.204263D+01  0.158161D+01  0.347248D+01
                36            37            38            39            40 
      1  -0.821279D+00  0.142122D+01 -0.576458D+00 -0.251588D+00 -0.183903D+01
      2  -0.821447D+00  0.965668D+00  0.733888D+00 -0.137283D+01 -0.280519D+01
      3  -0.224308D+01 -0.689326D+01  0.711636D+01 -0.292804D+01  0.118343D+02
                41            42            43            44            45 
      1  -0.199608D+00 -0.861729D+00 -0.395085D+01  0.820635D+01 -0.499842D+00
      2   0.376987D+01 -0.523417D+00 -0.140981D+02 -0.603743D+00 -0.910771D+00
      3   0.191854D+02  0.109246D+01 -0.808106D-01 -0.296213D+01  0.370778D+01
                46            47            48            49            50 
      1  -0.117918D+00  0.837629D+00 -0.959436D+00  0.140662D+01 -0.478919D+00
      2  -0.737890D+00 -0.157260D+01  0.489319D-01 -0.242266D+01 -0.203972D+01
      3  -0.633046D+00 -0.127865D+02  0.180464D+01 -0.108159D+00  0.539994D+01
                51            52            53            54            55 
      1  -0.213459D+01  0.190017D+01  0.926106D+00  0.120311D+00  0.818832D+00
      2  -0.383646D+01 -0.107210D+02 -0.949256D+01  0.331507D+01 -0.410529D+00
      3   0.988661D+00  0.186258D+01  0.152496D+01  0.745418D+01  0.374698D+01
                56            57            58            59            60 
      1  -0.322053D+01 -0.308046D+01 -0.167934D+01 -0.396608D+01  0.133876D+01
      2  -0.164059D+01  0.108566D+01 -0.388921D+01  0.333528D+00  0.676864D+01
      3  -0.205305D+01  0.212105D+01  0.125880D+02  0.638590D+01  0.707397D+01
                61            62            63            64            65 
      1  -0.754499D+01  0.989706D+01 -0.353780D+00  0.294299D+01  0.186259D+01
      2  -0.120948D+02  0.102338D+02 -0.322410D+00  0.883557D+01 -0.199359D+01
      3   0.867354D-02  0.730978D+01 -0.532428D+01 -0.114166D+02 -0.755325D+01
                66            67            68            69            70 
      1   0.160857D+01 -0.832747D+00  0.275113D+01  0.166591D+01  0.256051D+01
      2   0.664952D+01 -0.230406D+01  0.193741D+01 -0.610030D+01 -0.284614D+01
      3  -0.335976D+01 -0.581579D+01  0.281214D+01 -0.519974D+01  0.781999D+00
                71            72            73            74            75 
      1   0.141967D+01 -0.233102D+01  0.529017D+00  0.945965D+00  0.630229D+00
      2  -0.107839D+02 -0.166775D+02  0.164192D+01 -0.106613D+01  0.602202D+01
      3  -0.331245D+01  0.792746D+01  0.136388D+02 -0.622154D+01  0.100389D+01
                76            77            78            79            80 
      1  -0.872339D+00  0.181381D+01 -0.781516D+01 -0.478880D+01  0.186636D+01
      2   0.118227D+00 -0.412103D+01 -0.500127D+00 -0.321824D+01  0.555943D+01
      3   0.409176D+01 -0.553378D+01  0.533227D+01 -0.221074D+01  0.800540D+01
                81            82            83            84            85 
      1   0.404869D+01  0.141068D+00  0.492008D+00 -0.385244D+01  0.167892D+01
      2  -0.151402D+01 -0.269112D+01  0.509757D+00 -0.202153D+01  0.415691D+00
      3  -0.243492D+01 -0.594600D+01 -0.775784D+00 -0.114564D+01  0.713481D+01
                86            87            88            89            90 
      1   0.209387D+01  0.985833D+01  0.733477D+01  0.233247D+02  0.162241D+01
      2  -0.432048D+00 -0.526736D+00 -0.619779D+01 -0.523254D+01 -0.118972D+00
      3  -0.702506D+01 -0.987858D+00 -0.355792D+01 -0.320036D+01  0.333377D+01
                91            92            93            94            95 
      1  -0.207521D+00 -0.404231D+00 -0.228277D+01  0.288364D+00 -0.120056D+00
      2   0.408411D+00  0.266324D+00  0.401564D+01 -0.923070D+00 -0.759326D+00
      3  -0.277012D+01 -0.610084D+01  0.987397D-01 -0.551872D+01 -0.941798D+01
                96            97            98            99           100 
      1  -0.232033D+01  0.112391D+01  0.912909D+00  0.195635D+00  0.240640D+00
      2   0.325813D+01 -0.141414D+01 -0.786751D+00 -0.251510D+00  0.194485D+01
      3   0.678397D+00  0.763794D+00  0.122751D+01 -0.130312D+00  0.266003D+01
               101           102           103           104           105 
      1   0.396934D+00  0.142070D+01 -0.704953D-01 -0.158301D+00 -0.807008D+00
      2  -0.495665D+00  0.599370D+01 -0.170499D+01  0.813142D+00 -0.212052D+01
      3  -0.585521D+01  0.303423D+00 -0.520557D+01  0.390284D+01 -0.694890D+00
               106           107           108           109           110 
      1  -0.717470D+00  0.410253D+00  0.213589D+00 -0.326920D+00  0.128303D+00
      2  -0.198082D+01  0.453661D+00  0.619121D+00 -0.751392D+00  0.687628D+00
      3   0.963384D+00 -0.117522D+01  0.290721D+00 -0.451995D+01  0.376078D+01
               111           112           113           114           115 
      1   0.656696D+00  0.415922D+00 -0.927528D+00 -0.452209D+01 -0.298573D+00
      2  -0.882468D-01  0.102839D+01 -0.256094D+01  0.108857D+01 -0.125954D+01
      3  -0.642451D+00  0.613091D+01 -0.155556D+02  0.282642D+01 -0.134031D+01
               116           117           118           119           120 
      1   0.208557D+01  0.617979D+00  0.249549D-01 -0.201310D+00  0.993958D+00
      2   0.374665D+00 -0.761989D-01  0.483975D+00 -0.272074D+00  0.796275D+00
      3   0.332417D+01 -0.190036D+00  0.183698D+01 -0.716814D+00  0.158321D+00
               121           122           123           124           125 
      1  -0.304995D+00 -0.250526D+00 -0.457731D+01 -0.707898D-01  0.169260D+01
      2  -0.104290D+00  0.331372D+01 -0.271430D+01 -0.102328D+01 -0.361026D-01
      3   0.123275D+01  0.170924D+02 -0.289667D+01 -0.156537D+00 -0.339349D+01
               126           127           128           129           130 
      1   0.679461D+00  0.953512D+00  0.385146D+00  0.925487D+00 -0.297430D+00
      2   0.436986D+00  0.155166D+01  0.279605D-01  0.114924D+01  0.886929D+00
      3   0.449879D-01  0.233728D+01 -0.204336D+01 -0.131548D+01  0.189846D+01
               131           132           133           134           135 
      1   0.299229D-01 -0.411851D+01  0.236658D+01 -0.343537D+00  0.513970D+01
      2   0.267820D+01 -0.438904D+01 -0.491521D+00 -0.451442D+01  0.679795D+01
      3   0.537539D+01 -0.409325D+01 -0.207504D+01 -0.532720D+01  0.463723D+01
               136           137           138           139           140 
      1  -0.637872D+01  0.243502D+01  0.618154D+00  0.559895D+01 -0.491117D+00
      2  -0.704083D+01  0.112131D+02  0.567704D+01  0.105567D+02  0.292369D+01
      3   0.222844D+01 -0.171899D+02 -0.485481D+01 -0.981362D+01 -0.773510D+01
               141           142           143           144           145 
      1  -0.130813D+02  0.963061D+00 -0.786531D+01  0.548355D+01  0.663115D-01
      2  -0.449840D+01  0.281546D+01 -0.547071D+01  0.308258D+01  0.247653D+01
      3  -0.884488D+01 -0.211221D+01 -0.971633D+01  0.439541D+01  0.733889D+00
               146           147           148           149           150 
      1  -0.170517D+01  0.166056D+00 -0.282011D+00  0.258447D+01  0.277990D+00
      2  -0.365203D+00 -0.303311D+01 -0.641055D+00  0.369496D+01  0.489796D+01
      3   0.184520D+01  0.518621D+00  0.283809D+01 -0.383473D+01 -0.356799D+01
               151           152           153           154           155 
      1  -0.358648D-01  0.527851D+01  0.653082D+00 -0.114842D+01  0.146446D+01
      2  -0.114737D+01  0.445159D+01  0.201643D+02 -0.789277D+01  0.910447D+00
      3   0.527123D+00 -0.506001D+01 -0.298535D+01  0.468690D+01 -0.727913D+01
               156           157           158           159           160 
      1   0.210056D+00  0.127896D+01 -0.114771D+01 -0.877928D+00 -0.409810D+00
      2   0.500109D+01  0.135270D+01 -0.109215D+01 -0.499699D+00  0.262071D+01
      3   0.473477D+00 -0.299841D+01  0.353873D+01  0.533915D+00  0.623167D+00
               161           162           163           164           165 
      1   0.433582D+00  0.433910D+00 -0.280329D+01  0.113862D+00 -0.526681D+00
      2   0.344138D+00  0.363664D+00 -0.426981D+00 -0.360041D+00  0.144053D+01
      3   0.139547D+01 -0.163665D+00  0.219436D+01  0.164776D+01  0.310054D+01
               166           167           168           169           170 
      1  -0.185916D+01 -0.591386D+01 -0.755138D+01 -0.306386D+01 -0.986479D+01
      2  -0.407372D-01  0.122437D+01  0.121155D+01 -0.216115D+00  0.249251D+01
      3   0.383295D+01 -0.236032D+01 -0.134772D+01  0.787112D+01 -0.579907D+00
               171           172           173           174           175 
      1  -0.111239D+02  0.178912D+01 -0.231477D+00  0.578078D+00  0.119095D+01
      2   0.165328D+01 -0.737027D-02  0.342713D+00  0.431782D+00  0.538583D+00
      3  -0.209504D+01 -0.638666D+00 -0.128341D+01 -0.223334D+01  0.298608D+01
               176           177           178           179           180 
      1   0.510313D+01 -0.713603D+01 -0.218313D+01 -0.807304D+01  0.993702D+01
      2  -0.237034D+01  0.189415D+01 -0.125660D+01  0.276775D+01 -0.292250D+01
      3  -0.202980D+01  0.242197D+01 -0.467642D+01  0.283776D+01 -0.306191D+01
               181           182           183           184           185 
      1  -0.150525D+01 -0.267228D+00  0.706742D+00 -0.129167D+01 -0.688842D+01
      2  -0.701853D+00 -0.514565D+00  0.340658D-01  0.220714D-01 -0.231760D+01
      3  -0.134154D+01 -0.293699D+00  0.178683D+01 -0.153372D+00 -0.435542D+01
               186           187           188           189           190 
      1   0.634289D+01  0.205304D+01  0.695707D+01 -0.120032D+02  0.203179D+01
      2   0.554286D+01 -0.165581D+01  0.267374D+01 -0.981511D+01  0.723881D+01
      3   0.370493D+01  0.240435D+01  0.431643D+01 -0.478435D+01 -0.126702D+02
               191           192           193           194           195 
      1  -0.207242D+01  0.354767D+01 -0.198523D+01  0.169405D+01 -0.119433D+01
      2  -0.278825D+01  0.518684D+01 -0.312011D+01  0.101478D+01 -0.154814D+01
      3  -0.216749D-01  0.296910D+00  0.353468D+01  0.151584D+01  0.821300D+00
               196           197           198           199           200 
      1   0.199702D+01  0.314892D+00  0.489431D+00  0.147603D+01  0.450698D+00
      2   0.128334D+01 -0.415773D+00  0.124306D+01 -0.427200D+01 -0.389887D+01
      3  -0.974969D+00  0.485315D+00 -0.181243D+01  0.103411D+02  0.803046D+01
               201           202           203           204           205 
      1  -0.279298D+01  0.527241D+00  0.181066D+01 -0.240645D+01 -0.738451D+00
      2  -0.182220D+01 -0.386092D+01 -0.566943D+01 -0.244295D+01 -0.238443D+01
      3   0.329377D+01  0.942121D+01  0.133059D+02  0.541134D+01  0.149263D+01
               206           207 
      1   0.678818D+00 -0.220594D+01
      2  -0.252413D+01 -0.280562D+01
      3   0.449469D+01  0.366828D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.653509D+00 -0.177486D+02  0.293143D+01  0.290643D+02 -0.167788D+01
      2  -0.361713D+01  0.123332D+02  0.439708D+00 -0.270359D+02 -0.273009D+01
      3   0.427063D+01  0.541538D+01 -0.337114D+01 -0.202838D+01  0.440797D+01
      4  -0.197702D+02  0.135274D+02 -0.381701D+01 -0.327626D+01 -0.184328D+02
      5  -0.139086D+01 -0.224572D+01  0.977954D+01  0.757976D+01  0.592969D+01
      6  -0.201773D+01 -0.197737D+01  0.631127D+01  0.619091D+01  0.248330D+01
                 6             7             8             9            10 
      1   0.236586D+01 -0.844240D+01 -0.145972D+01  0.111404D+02 -0.720193D+01
      2  -0.287375D+01  0.978652D+01  0.338491D+01 -0.138675D+02  0.419249D+01
      3   0.507888D+00 -0.134411D+01 -0.192519D+01  0.272710D+01  0.300944D+01
      4   0.884407D+01  0.283972D+01  0.959706D+01  0.147093D+02  0.118648D+02
      5   0.933312D+01  0.289230D+02  0.165540D+02 -0.515742D+01 -0.649571D+01
      6   0.157842D+01  0.928763D+01  0.950547D+01  0.302893D+01 -0.710559D+00
                11            12            13            14            15 
      1   0.723265D+01 -0.617665D+01 -0.195198D+02 -0.202268D+02  0.589709D+01
      2  -0.416657D+01  0.282103D+01  0.171980D+02  0.184729D+02 -0.647459D+01
      3  -0.306608D+01  0.335562D+01  0.232181D+01  0.175398D+01  0.577500D+00
      4   0.220480D+02 -0.919095D-01 -0.181694D+02  0.147367D+02 -0.712280D+01
      5   0.848073D+00  0.128959D+02  0.100243D+02 -0.372194D+01 -0.467783D+01
      6   0.390850D+00 -0.322858D+01 -0.506413D+01 -0.178132D+01 -0.158953D+01
                16            17            18            19            20 
      1  -0.326774D+01  0.796900D+01  0.168753D+02  0.988573D+01 -0.381665D+01
      2  -0.202327D+01 -0.523595D+01 -0.197782D+02 -0.715011D+01 -0.249536D+00
      3   0.529101D+01 -0.273306D+01  0.290289D+01 -0.273562D+01  0.406618D+01
      4   0.120267D+02 -0.487943D+01 -0.535722D+01  0.750634D+01 -0.246571D+02
      5   0.361760D+02 -0.853096D+01  0.644686D+01  0.300563D+01  0.180094D+01
      6  -0.400622D+01  0.450042D+01  0.197452D+01  0.174684D+01 -0.331817D+00
                21            22            23            24            25 
      1   0.838431D+00  0.780820D+01  0.109230D+02 -0.529850D+01  0.156465D+01
      2  -0.131220D+01 -0.409270D+00 -0.171282D+02  0.722721D+01 -0.232494D+01
      3   0.473774D+00 -0.739893D+01  0.620525D+01 -0.192871D+01  0.760287D+00
      4   0.333629D+01  0.187325D+02  0.857292D+01  0.586943D+00 -0.124777D+01
      5  -0.353921D+01 -0.112807D+01  0.156451D+00  0.376579D+01  0.255435D+01
      6  -0.303591D+01 -0.211745D+01  0.109745D+02  0.468130D+01  0.120267D+01
                26            27            28            29            30 
      1  -0.452083D+01 -0.138458D+02 -0.343722D+02  0.145313D+02 -0.135673D+01
      2   0.107410D+02  0.150452D+01  0.203381D+02 -0.807871D+01 -0.119241D+00
      3  -0.622019D+01  0.123413D+02  0.140341D+02 -0.645261D+01  0.147597D+01
      4  -0.248184D+01  0.116430D+02 -0.127533D+02  0.109146D+02 -0.178818D+00
      5   0.107437D+02 -0.798668D+01 -0.338361D+01  0.132914D+01 -0.196280D+01
      6   0.148443D+02 -0.587119D+01  0.277815D+01 -0.339007D+00 -0.214962D+01
                31            32            33            34            35 
      1   0.159596D+02 -0.552994D+00  0.678042D+00 -0.788386D+01  0.208354D+01
      2  -0.707247D+01  0.364549D+01 -0.293190D+01 -0.248300D+00 -0.144563D+01
      3  -0.888718D+01 -0.309250D+01  0.225386D+01  0.813216D+01 -0.637914D+00
      4  -0.288756D+01  0.454186D+01 -0.108675D+01  0.439486D+01 -0.263913D+01
      5   0.201688D+01 -0.725101D+00 -0.861164D+00  0.123681D+01  0.135977D+00
      6  -0.636850D+01 -0.265444D+01  0.230465D+01 -0.126789D+01  0.742227D+01
                36            37            38            39            40 
      1  -0.120758D+02 -0.171307D+02 -0.285038D+02  0.211825D+01 -0.194303D+02
      2  -0.263390D+00  0.151331D+02  0.221044D+02  0.563020D+00  0.806126D+01
      3   0.123392D+02  0.199763D+01  0.639938D+01 -0.268127D+01  0.113691D+02
      4  -0.285164D+01 -0.365774D+01  0.913025D+00 -0.731369D+00 -0.126024D+01
      5  -0.130781D+01  0.274079D+01  0.143990D+01 -0.845439D+00  0.610681D+00
      6   0.161953D+01 -0.237633D+01 -0.438228D-01  0.530300D+00  0.836449D+01
                41            42            43            44            45 
      1  -0.134455D+02  0.651367D-01  0.250702D+01 -0.118683D+01 -0.142251D+02
      2   0.143323D+02 -0.897368D+00  0.210175D+01  0.119311D+01  0.338179D+01
      3  -0.886774D+00  0.832231D+00 -0.460878D+01 -0.627694D-02  0.108433D+02
      4  -0.495482D+01  0.284996D+01  0.894013D+00  0.240031D+01 -0.139264D+01
      5   0.324313D+01  0.183654D+00  0.213379D+01 -0.264221D+01 -0.103533D+00
      6  -0.300132D+00  0.151100D+01 -0.875652D+00  0.987498D+01  0.113779D+01
                46            47            48            49            50 
      1   0.113770D+02  0.187547D+02 -0.142922D+00 -0.208272D+02  0.148546D+02
      2  -0.125180D+02 -0.130202D+02  0.682032D-01  0.167350D+02 -0.214922D+02
      3   0.114102D+01 -0.573441D+01  0.747190D-01  0.409224D+01  0.663763D+01
      4   0.458143D+01 -0.183872D+02  0.472439D+01  0.117116D+02 -0.615417D+00
      5  -0.314687D+01  0.256925D+01 -0.236257D+01 -0.740266D+00 -0.424830D+01
      6   0.485964D+01 -0.196439D+01  0.114937D+01 -0.250900D+01  0.102721D+02
                51            52            53            54            55 
      1  -0.453113D+01  0.320513D+01 -0.261964D+01 -0.638171D+01  0.230915D+02
      2   0.668748D+01 -0.457139D+01  0.958300D+01 -0.272723D+01 -0.114656D+02
      3  -0.215635D+01  0.136627D+01 -0.696336D+01  0.910894D+01 -0.116259D+02
      4  -0.415879D+01  0.111315D+01 -0.813060D+01 -0.155217D+02 -0.202476D+01
      5  -0.710852D+01  0.771765D+01 -0.158428D+02  0.645760D+01  0.201006D+01
      6   0.417073D+01 -0.529290D+01  0.137447D+02 -0.272375D+01 -0.348204D+01
                56            57            58            59            60 
      1  -0.145065D+02 -0.427827D+01 -0.199617D+02  0.525921D+01 -0.921875D+01
      2   0.110231D+02  0.443769D+01  0.129051D+02  0.906442D+00  0.705689D+01
      3   0.348342D+01 -0.159422D+00  0.705655D+01 -0.616565D+01  0.216186D+01
      4  -0.770721D+01 -0.428078D+01 -0.147110D+02  0.909282D+01 -0.545045D+01
      5  -0.615587D+01 -0.666138D+01 -0.806269D+01 -0.694412D+01  0.139730D+02
      6   0.413916D+01  0.452828D+01  0.794343D+00  0.833262D+01 -0.168923D+02
                61            62            63            64            65 
      1  -0.139182D+01 -0.789755D+01  0.115878D+02 -0.484068D+02  0.143135D+02
      2   0.502766D+01  0.117593D+01 -0.102150D+02  0.247304D+02 -0.950274D+01
      3  -0.363584D+01  0.672162D+01 -0.137285D+01  0.236763D+02 -0.481076D+01
      4  -0.123149D+02  0.186674D+01  0.205012D+02  0.156680D+02  0.348078D+01
      5  -0.159541D+02  0.193928D+02 -0.324881D+01 -0.748244D+01  0.611671D+01
      6   0.168565D+02 -0.234301D+02  0.106481D+02  0.246063D+01  0.136878D+01
                66            67            68            69            70 
      1  -0.480564D+01  0.196216D+02  0.797706D+01  0.883701D+01  0.200179D+01
      2  -0.193228D+01 -0.121319D+02 -0.114944D+02 -0.555729D+00  0.130710D+01
      3   0.673792D+01 -0.748967D+01  0.351737D+01 -0.828128D+01 -0.330889D+01
      4   0.404985D+01 -0.208834D+01 -0.211622D+00  0.647479D+01  0.636224D+01
      5   0.707537D+01  0.105624D+02  0.788062D+01 -0.427417D+01 -0.267555D+01
      6   0.609251D+00  0.244596D+01 -0.105696D+01 -0.447748D+01 -0.275762D+01
                71            72            73            74            75 
      1   0.301688D+01  0.139808D+02  0.303814D+02  0.979627D+01  0.327647D+00
      2   0.919566D+01  0.153778D+02 -0.165319D+02 -0.731229D+01 -0.139504D+01
      3  -0.122125D+02 -0.293586D+02 -0.138495D+02 -0.248398D+01  0.106739D+01
      4   0.782008D+00 -0.135860D+02  0.134156D+02  0.116148D+02 -0.500244D+01
      5  -0.131190D+02 -0.260100D+02 -0.547141D+01 -0.311934D+01  0.949797D+01
      6  -0.130809D+01 -0.110766D+02 -0.836288D+00 -0.711812D+01 -0.408272D+01
                76            77            78            79            80 
      1  -0.798530D+01 -0.677927D+01  0.541197D+00 -0.731099D+01 -0.719690D+00
      2   0.948314D+01  0.152208D+02  0.193037D+01  0.501497D+01 -0.334704D+01
      3  -0.149784D+01 -0.844157D+01 -0.247156D+01  0.229603D+01  0.406673D+01
      4   0.130866D+02  0.104424D+02 -0.626641D+01 -0.637370D+01 -0.620685D+01
      5  -0.488300D+01 -0.570348D+01 -0.308250D+01  0.109387D+02  0.748607D+01
      6  -0.412197D+00 -0.228180D+01  0.106150D+02  0.403325D+01  0.100888D+02
                81            82            83            84            85 
      1  -0.658865D+01 -0.113026D+02 -0.389130D+01 -0.553440D+00  0.225786D+02
      2  -0.440663D+01  0.807689D+01  0.633984D+01  0.223417D+01 -0.199311D+02
      3   0.109953D+02  0.322572D+01 -0.244855D+01 -0.168073D+01 -0.264751D+01
      4   0.919550D+01  0.427987D-01 -0.348066D+01  0.212972D+01 -0.149409D+01
      5  -0.312353D+01 -0.165292D+01  0.103869D+01 -0.689578D+01 -0.253625D+01
      6  -0.277807D+01 -0.106221D+01  0.121533D+01  0.869417D+01 -0.382492D+01
                86            87            88            89            90 
      1   0.434901D+02  0.144311D+01  0.602636D+01  0.689505D+01  0.315765D+02
      2  -0.408646D+02 -0.230818D+01 -0.605383D+01 -0.997297D+01 -0.300071D+02
      3  -0.262552D+01  0.865067D+00  0.274725D-01  0.307792D+01 -0.156937D+01
      4  -0.676295D+01 -0.263794D+01 -0.317328D+01 -0.463189D+01 -0.829514D+01
      5  -0.353624D+01 -0.396711D+01 -0.331434D+01 -0.100714D+02 -0.180811D+01
      6  -0.448440D+01 -0.274025D+02 -0.847254D+01 -0.447996D+02 -0.364939D+01
                91            92            93            94            95 
      1   0.493913D+02  0.244688D+02 -0.237677D+01  0.203593D+02  0.146489D+02
      2  -0.194654D+02 -0.662032D+01  0.120491D+01 -0.123044D+01  0.354418D+01
      3  -0.299259D+02 -0.178484D+02  0.117186D+01 -0.191289D+02 -0.181931D+02
      4   0.464540D+02  0.325027D+02 -0.224033D+01  0.389366D+02  0.380478D+02
      5  -0.546734D+01 -0.273018D+01  0.746827D+01 -0.524122D+01 -0.447335D+01
      6  -0.858539D+00 -0.709329D+00  0.305637D+01 -0.226897D+01 -0.191573D+01
                96            97            98            99           100 
      1  -0.185973D+01 -0.931351D+00 -0.754731D+00  0.724337D+00  0.958497D+02
      2   0.857731D+00 -0.491473D+00 -0.736551D+00  0.201752D+00 -0.528992D+02
      3   0.100200D+01  0.142282D+01  0.149128D+01 -0.926089D+00 -0.429505D+02
      4  -0.365486D+01 -0.414423D+01 -0.377437D+01  0.306081D+01 -0.326761D+02
      5   0.524652D+01  0.273524D+01  0.190643D+01 -0.890602D+00  0.122240D+02
      6   0.415506D+01  0.155503D+01  0.225158D+01 -0.981712D+00 -0.463913D+00
               101           102           103           104           105 
      1  -0.216963D+02  0.854045D+01 -0.198754D+02  0.139934D+02 -0.307226D+01
      2   0.107662D+02 -0.563646D+01  0.840871D+01 -0.568489D+01  0.203641D+01
      3   0.109301D+02 -0.290399D+01  0.114667D+02 -0.830848D+01  0.103585D+01
      4   0.159573D+02 -0.300243D+01  0.234524D+02 -0.129276D+02  0.275169D+01
      5  -0.276607D+01  0.107583D+02 -0.513259D+01  0.279776D+01 -0.337370D+01
      6   0.641210D+00 -0.171401D+01  0.155488D+01 -0.622632D+00  0.222141D+01
               106           107           108           109           110 
      1   0.100285D+02 -0.308966D+01  0.343898D+01 -0.421614D+01  0.636790D+01
      2  -0.552577D+01  0.143358D+01 -0.219988D+01  0.558867D+01 -0.573329D+01
      3  -0.450274D+01  0.165608D+01 -0.123909D+01 -0.137253D+01 -0.634613D+00
      4  -0.608951D+01  0.286494D+01 -0.250517D+01  0.974635D+00  0.703410D+01
      5   0.448032D+01 -0.141714D+01  0.229163D+01 -0.381991D+00 -0.702615D+00
      6  -0.101935D+01  0.127317D+01 -0.757452D+00 -0.153955D+01  0.199366D+01
               111           112           113           114           115 
      1  -0.174061D+01  0.365147D+01 -0.376053D+02  0.723781D+01 -0.123559D+01
      2   0.121641D+01 -0.290963D+01  0.521705D+02 -0.749918D+01  0.136515D+01
      3   0.524201D+00 -0.741839D+00 -0.145652D+02  0.261372D+00 -0.129563D+00
      4  -0.856357D+00  0.543430D+01  0.190662D+02 -0.396564D+01 -0.880745D+00
      5   0.126034D+01 -0.839519D+00 -0.466105D+01  0.239778D+01  0.694258D+00
      6  -0.853986D+00  0.174820D+00 -0.137594D+02  0.896388D+01 -0.210329D+00
               116           117           118           119           120 
      1   0.758387D+01 -0.324942D+01  0.126188D+01 -0.328453D+01  0.624372D+00
      2  -0.913436D+01  0.347088D+01  0.359798D+01 -0.267753D+01  0.113481D+00
      3   0.155050D+01 -0.221458D+00 -0.485986D+01  0.596205D+01 -0.737853D+00
      4  -0.307113D+01 -0.116929D+00 -0.111837D+02  0.159696D+02 -0.293115D+01
      5   0.511490D+00 -0.244756D+00  0.196424D+01 -0.265439D+01  0.280160D+01
      6   0.528699D+01 -0.317340D+01 -0.188854D+01  0.195263D+01 -0.182338D+01
               121           122           123           124           125 
      1   0.136138D+01 -0.247709D+02  0.429150D+01  0.157601D+00  0.432648D+01
      2  -0.846576D+01  0.448133D+02 -0.551047D+01  0.952748D+00 -0.707265D+01
      3   0.710438D+01 -0.200424D+02  0.121898D+01 -0.111035D+01  0.274617D+01
      4   0.175956D+02 -0.432819D+02  0.746464D+01 -0.356599D+01  0.874052D+01
      5  -0.278276D+01  0.669241D+01 -0.492010D+01  0.140408D+01 -0.201923D+01
      6   0.292234D+01 -0.112540D+02  0.857226D+01 -0.149404D+01  0.560223D+01
               126           127           128           129           130 
      1  -0.299739D+01  0.483279D+00 -0.131059D+01  0.279577D+01  0.465485D+01
      2   0.349869D+01 -0.323779D+00  0.245524D+00 -0.201794D+01 -0.451253D+01
      3  -0.501303D+00 -0.159500D+00  0.106506D+01 -0.777839D+00 -0.142328D+00
      4  -0.234872D+01 -0.446372D+01  0.719541D+01 -0.373301D+01  0.107408D+02
      5   0.141272D+01  0.491758D+01 -0.288375D+01  0.729712D+01 -0.332431D+01
      6  -0.303271D+01 -0.556185D+01  0.112026D+01 -0.194942D+01  0.422801D+01
               131           132           133           134           135 
      1  -0.144478D+02  0.947407D+01 -0.681595D+00  0.110572D+02 -0.158722D+02
      2   0.144618D+02 -0.755774D+01 -0.846272D+00 -0.502131D+01  0.492574D+00
      3  -0.140150D-01 -0.191633D+01  0.152787D+01 -0.603588D+01  0.153796D+02
      4  -0.151537D+02  0.734999D+01 -0.567020D+01  0.930480D+01 -0.104732D+02
      5   0.769946D+01 -0.938464D+01  0.101253D+02 -0.108206D+02  0.160481D+02
      6  -0.166017D+02  0.177062D+02 -0.784076D+01  0.188148D+02 -0.236049D+02
               136           137           138           139           140 
      1  -0.221172D+02  0.308665D+02  0.752378D+01  0.296573D+02  0.650470D+01
      2  -0.745082D+01 -0.179777D+02 -0.904029D+01 -0.151374D+02 -0.922375D+01
      3   0.295680D+02 -0.128887D+02  0.151651D+01 -0.145200D+02  0.271906D+01
      4   0.407188D+02 -0.176099D+02  0.481077D+01 -0.912957D+01 -0.249894D+01
      5   0.478932D+01 -0.243556D+00  0.470514D+01  0.305989D+01  0.632125D+00
      6  -0.369192D+01 -0.105111D+02 -0.631027D+01 -0.100346D+02 -0.628306D+01
               141           142           143           144           145 
      1   0.319283D+01  0.584836D+01  0.296192D+01 -0.261176D+01  0.299420D+01
      2  -0.182243D+02 -0.902389D+01 -0.120974D+02  0.139524D+02 -0.413121D+01
      3   0.150315D+02  0.317553D+01  0.913553D+01 -0.113407D+02  0.113701D+01
      4  -0.458983D+00  0.182250D+02 -0.837469D+01 -0.186958D+02  0.369020D+00
      5  -0.160593D+02  0.111406D+02 -0.187259D+02  0.163950D+01  0.416456D+01
      6   0.672495D+01 -0.147196D+02  0.114931D+02  0.532638D+01  0.138177D+01
               146           147           148           149           150 
      1   0.904173D+00  0.786477D+01  0.530089D+00 -0.641287D+01 -0.604854D+01
      2   0.164935D+00 -0.689521D-01 -0.129692D+01  0.143717D+01 -0.198020D+01
      3  -0.106911D+01 -0.779582D+01  0.766836D+00  0.497570D+01  0.802874D+01
      4  -0.896002D+00  0.724621D+00  0.328111D+01  0.609479D+01  0.691777D+01
      5   0.211322D+00  0.103507D+01  0.325304D+01  0.605444D+01  0.921887D+01
      6  -0.806903D+00 -0.141393D+01  0.137821D+01  0.661752D+01  0.114720D+02
               151           152           153           154           155 
      1   0.417372D+01 -0.409902D+01 -0.174549D+02  0.785051D+02 -0.915331D+01
      2  -0.768871D+01 -0.294548D+01 -0.232427D+02 -0.442724D+02  0.505411D+01
      3   0.351499D+01  0.704450D+01  0.406976D+02 -0.342327D+02  0.409920D+01
      4   0.234913D+01  0.761316D+01  0.861707D+01 -0.888032D+01  0.102099D+02
      5   0.132349D+02  0.783316D+01  0.362859D+02  0.176152D+02 -0.229715D+01
      6   0.240165D+01  0.722253D+01  0.127141D+02 -0.134162D+01  0.117698D+01
               156           157           158           159           160 
      1   0.608058D+01 -0.147887D+02  0.796516D+01 -0.233795D+01 -0.155896D+01
      2  -0.554531D+01  0.829856D+01 -0.298289D+01  0.105050D+01 -0.887649D+00
      3  -0.535272D+00  0.649017D+01 -0.498227D+01  0.128745D+01  0.244661D+01
      4  -0.708586D+00  0.130062D+02 -0.588971D+01  0.497977D+00 -0.436976D+00
      5   0.104213D+02 -0.477238D+01  0.132252D+01 -0.183943D+01  0.113104D+02
      6  -0.421765D+00  0.222799D+01 -0.124325D+01  0.222562D+01 -0.831771D+00
               161           162           163           164           165 
      1  -0.256904D+00  0.599548D+01 -0.871360D+00  0.294462D+01  0.115177D+01
      2  -0.766326D+00 -0.579294D+01  0.208302D+01 -0.259566D+01 -0.159448D+01
      3   0.102323D+01 -0.202546D+00 -0.121166D+01 -0.348964D+00  0.442715D+00
      4  -0.927430D+00 -0.355904D+00  0.313319D+01  0.804450D+01  0.471585D+01
      5  -0.753733D+00  0.356968D+01  0.195697D+01  0.309931D+01  0.523886D+01
      6   0.131380D+01  0.350187D+00  0.680894D+01  0.408496D+00  0.908295D+00
               166           167           168           169           170 
      1  -0.501635D+01 -0.334044D+02 -0.119118D+02 -0.274644D+01 -0.262278D+02
      2   0.677908D+01  0.419745D+02  0.143551D+02  0.329795D+01  0.273361D+02
      3  -0.176273D+01 -0.857010D+01 -0.244327D+01 -0.551510D+00 -0.110824D+01
      4   0.714700D+01  0.109629D+02  0.412744D+01  0.848655D+01  0.821888D+01
      5   0.266975D+01  0.434905D+01  0.318354D+01  0.560177D+01  0.746899D+01
      6   0.369523D+01  0.225398D+02  0.176590D+02  0.700005D+01  0.328944D+02
               171           172           173           174           175 
      1  -0.222820D+02  0.996296D-01  0.386427D+01 -0.312908D+01 -0.475015D+01
      2   0.170412D+02  0.386235D+00 -0.400612D+01  0.205128D+01  0.552358D+01
      3   0.524074D+01 -0.485864D+00  0.141846D+00  0.107779D+01 -0.773432D+00
      4   0.624186D+01  0.828718D+00  0.660285D+01 -0.443067D+01  0.552868D+01
      5   0.601601D+01 -0.109004D+01 -0.262278D+01  0.362346D+01 -0.163424D+01
      6   0.261456D+02 -0.535166D+01  0.227352D+01 -0.146221D+01 -0.235745D+01
               176           177           178           179           180 
      1  -0.283096D+02  0.127772D+02  0.129444D+01  0.203480D+02 -0.215489D+02
      2   0.339566D+02 -0.140912D+02 -0.144088D+01 -0.193485D+02  0.146339D+02
      3  -0.564701D+01  0.131399D+01  0.146435D+00 -0.999521D+00  0.691506D+01
      4   0.789519D+01 -0.313606D+01 -0.588663D+01 -0.529814D+01  0.485584D+01
      5  -0.397590D+01  0.361521D+01  0.401122D+01  0.645791D+01 -0.531784D+01
      6  -0.204199D+02  0.181326D+02  0.540615D+01  0.279355D+02 -0.239369D+02
               181           182           183           184           185 
      1   0.375682D+01 -0.180235D+01 -0.443037D+01  0.779956D+00 -0.847576D+00
      2  -0.359002D+01  0.573047D+00  0.390148D+01 -0.241692D+01 -0.541216D+01
      3  -0.166798D+00  0.122930D+01  0.528896D+00  0.163696D+01  0.625974D+01
      4  -0.277215D+01  0.214562D+01  0.426954D+00 -0.246891D+00  0.758797D+01
      5  -0.496568D+01 -0.147818D+01  0.498705D+01 -0.570850D+01 -0.357473D+01
      6   0.873144D+00  0.111364D+01  0.574080D+00  0.154885D+01 -0.255611D+01
               186           187           188           189           190 
      1   0.197649D+01 -0.375817D+01 -0.629536D+00 -0.806436D+01  0.452905D+02
      2   0.119222D+02  0.617359D+01  0.950712D+01 -0.197390D+02 -0.993872D+01
      3  -0.138987D+02 -0.241542D+01 -0.887758D+01  0.278034D+02 -0.353517D+02
      4  -0.353983D+01  0.811674D+00 -0.535521D+01  0.546212D+01 -0.527353D+02
      5   0.120403D+02  0.841180D+01  0.505628D+01 -0.206826D+02 -0.144086D+02
      6  -0.180333D+01 -0.127904D+01  0.278631D+01  0.751419D+01  0.595020D+01
               191           192           193           194           195 
      1  -0.145201D+02 -0.508867D-01 -0.101822D+02  0.301125D+01 -0.103113D+01
      2  -0.350358D+01  0.185723D+01 -0.487616D+01  0.956346D+01  0.144004D+01
      3   0.180236D+02 -0.180634D+01  0.150584D+02 -0.125747D+02 -0.408911D+00
      4   0.321281D+02  0.323901D+01  0.268398D+02 -0.224259D+02 -0.133202D+01
      5   0.676892D+01  0.965615D+01  0.436100D+01 -0.347538D+01 -0.237862D+01
      6  -0.432219D+01 -0.635997D+01 -0.231405D+01  0.401850D+01  0.357456D+01
               196           197           198           199           200 
      1   0.425649D+01 -0.110549D+01  0.407540D+01 -0.694147D+01 -0.171211D+02
      2   0.160569D+01 -0.131364D+01 -0.267865D+01  0.965036D+01  0.184952D+02
      3  -0.586218D+01  0.241913D+01 -0.139675D+01 -0.270889D+01 -0.137406D+01
      4  -0.721728D+01  0.491807D+01 -0.408326D+01  0.287708D+01  0.282202D+01
      5   0.733544D+01 -0.200836D+01  0.120092D+00  0.271120D+01  0.685066D+00
      6  -0.455098D+01  0.272883D+01 -0.116262D+01  0.432343D+01  0.103295D+02
               201           202           203           204           205 
      1  -0.807302D+01 -0.120342D+02 -0.270614D+02 -0.108061D+02 -0.369659D+01
      2   0.591215D+01  0.107234D+02  0.363438D+02  0.110176D+02  0.265183D+01
      3   0.216088D+01  0.131084D+01 -0.928236D+01 -0.211570D+00  0.104476D+01
      4  -0.144864D+00  0.713553D+01 -0.636910D+01 -0.229259D+01 -0.501870D+00
      5  -0.855848D+00  0.264805D+01 -0.171809D+01 -0.103062D+01  0.114386D+01
      6   0.844437D+01  0.450736D+01  0.179841D+02  0.112748D+02  0.439294D+01
               206           207 
      1  -0.901302D+01 -0.911589D+01
      2   0.754897D+01  0.444371D+01
      3   0.146405D+01  0.467217D+01
      4  -0.535785D+00  0.129646D+01
      5  -0.783396D-01 -0.164433D+01
      6   0.103261D+02  0.829711D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Jul 18 13:39:23 2021, MaxMem=  5637144576 cpu:           14567.8 elap:            1839.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14640 -10.23894 -10.23298 -10.19653 -10.19621
 Alpha  occ. eigenvalues --  -10.19562 -10.19077 -10.19014 -10.18965 -10.18915
 Alpha  occ. eigenvalues --  -10.17719  -1.03449  -0.86170  -0.80183  -0.76727
 Alpha  occ. eigenvalues --   -0.73563  -0.69538  -0.65089  -0.62438  -0.60220
 Alpha  occ. eigenvalues --   -0.54784  -0.52234  -0.49599  -0.48737  -0.46977
 Alpha  occ. eigenvalues --   -0.45738  -0.44035  -0.42874  -0.42114  -0.40244
 Alpha  occ. eigenvalues --   -0.38829  -0.38530  -0.36833  -0.36158  -0.35124
 Alpha  occ. eigenvalues --   -0.33371  -0.31646  -0.26647  -0.25427  -0.24922
 Alpha virt. eigenvalues --   -0.02005  -0.01267   0.01666   0.03233   0.03512
 Alpha virt. eigenvalues --    0.04836   0.05961   0.06147   0.06962   0.07593
 Alpha virt. eigenvalues --    0.07841   0.09141   0.10414   0.11458   0.12035
 Alpha virt. eigenvalues --    0.12504   0.12936   0.13335   0.13673   0.15423
 Alpha virt. eigenvalues --    0.15776   0.16091   0.16758   0.17438   0.18137
 Alpha virt. eigenvalues --    0.18926   0.19364   0.19984   0.20387   0.21405
 Alpha virt. eigenvalues --    0.21809   0.22950   0.23799   0.24160   0.24863
 Alpha virt. eigenvalues --    0.25514   0.26111   0.27037   0.27370   0.27851
 Alpha virt. eigenvalues --    0.27907   0.28870   0.29490   0.30087   0.30929
 Alpha virt. eigenvalues --    0.31590   0.31736   0.31973   0.32717   0.33225
 Alpha virt. eigenvalues --    0.33336   0.34152   0.34234   0.35027   0.35777
 Alpha virt. eigenvalues --    0.35827   0.36701   0.36864   0.37151   0.37946
 Alpha virt. eigenvalues --    0.38143   0.38444   0.38799   0.39463   0.40035
 Alpha virt. eigenvalues --    0.40269   0.40952   0.41144   0.41483   0.42062
 Alpha virt. eigenvalues --    0.42433   0.42880   0.43466   0.43797   0.44369
 Alpha virt. eigenvalues --    0.44673   0.45247   0.45786   0.46501   0.46943
 Alpha virt. eigenvalues --    0.47617   0.47901   0.48872   0.49310   0.50287
 Alpha virt. eigenvalues --    0.50496   0.51199   0.51576   0.52354   0.52927
 Alpha virt. eigenvalues --    0.53880   0.54635   0.54993   0.55439   0.56077
 Alpha virt. eigenvalues --    0.56513   0.57225   0.58193   0.58846   0.59279
 Alpha virt. eigenvalues --    0.60038   0.60838   0.61150   0.62098   0.62657
 Alpha virt. eigenvalues --    0.62914   0.64491   0.64902   0.65190   0.66698
 Alpha virt. eigenvalues --    0.67740   0.68369   0.68907   0.69454   0.71611
 Alpha virt. eigenvalues --    0.72745   0.73680   0.73908   0.75094   0.75966
 Alpha virt. eigenvalues --    0.76766   0.78741   0.79801   0.80471   0.81844
 Alpha virt. eigenvalues --    0.82145   0.83961   0.84812   0.85910   0.87022
 Alpha virt. eigenvalues --    0.88260   0.89741   0.91130   0.92569   0.94440
 Alpha virt. eigenvalues --    0.94795   0.96212   0.96603   0.96989   0.97922
 Alpha virt. eigenvalues --    0.98080   0.99215   0.99871   1.00830   1.01726
 Alpha virt. eigenvalues --    1.02620   1.03622   1.05290   1.06057   1.07921
 Alpha virt. eigenvalues --    1.10146   1.10617   1.11355   1.12498   1.13508
 Alpha virt. eigenvalues --    1.14565   1.15869   1.16598   1.18540   1.19131
 Alpha virt. eigenvalues --    1.19562   1.22596   1.23770   1.24302   1.25237
 Alpha virt. eigenvalues --    1.27428   1.28256   1.30803   1.30949   1.32886
 Alpha virt. eigenvalues --    1.35463   1.36750   1.37161   1.38760   1.40673
 Alpha virt. eigenvalues --    1.41634   1.44477   1.46038   1.48152   1.51264
 Alpha virt. eigenvalues --    1.51967   1.52507   1.53902   1.57392   1.60328
 Alpha virt. eigenvalues --    1.62551   1.63676   1.64784   1.66249   1.67463
 Alpha virt. eigenvalues --    1.69005   1.70920   1.72465   1.75149   1.76366
 Alpha virt. eigenvalues --    1.77021   1.80615   1.81496   1.83728   1.84625
 Alpha virt. eigenvalues --    1.84802   1.87047   1.87197   1.88649   1.89749
 Alpha virt. eigenvalues --    1.92399   1.93527   1.95135   1.96713   1.97165
 Alpha virt. eigenvalues --    1.99906   2.01338   2.01721   2.02666   2.03727
 Alpha virt. eigenvalues --    2.05329   2.07034   2.08723   2.09744   2.10402
 Alpha virt. eigenvalues --    2.12007   2.12903   2.13797   2.17058   2.17905
 Alpha virt. eigenvalues --    2.18894   2.19678   2.22219   2.23360   2.26804
 Alpha virt. eigenvalues --    2.28363   2.30317   2.31745   2.35443   2.37267
 Alpha virt. eigenvalues --    2.38103   2.39323   2.39933   2.41446   2.44992
 Alpha virt. eigenvalues --    2.46796   2.48781   2.49989   2.50677   2.52008
 Alpha virt. eigenvalues --    2.54224   2.54558   2.55970   2.60242   2.64009
 Alpha virt. eigenvalues --    2.67213   2.68461   2.69004   2.71137   2.72647
 Alpha virt. eigenvalues --    2.81161   2.86328   2.87494   2.88894   2.89646
 Alpha virt. eigenvalues --    2.93538   2.97050   3.01468   3.03629   3.05714
 Alpha virt. eigenvalues --    3.07804   3.08941   3.11880   3.12341   3.14111
 Alpha virt. eigenvalues --    3.16858   3.18223   3.20768   3.22794   3.23615
 Alpha virt. eigenvalues --    3.36161   3.51439   3.66959   3.71773
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.942807  -0.236593  -0.857336   0.494859  -0.082200   0.782720
     2  C   -0.236593   6.804035   0.755613  -0.152320   0.482040  -0.586325
     3  C   -0.857336   0.755613   8.722452  -0.643545  -0.073654  -0.495757
     4  C    0.494859  -0.152320  -0.643545  11.012868  -2.196333   0.114969
     5  C   -0.082200   0.482040  -0.073654  -2.196333  11.543010  -1.160000
     6  C    0.782720  -0.586325  -0.495757   0.114969  -1.160000   9.018897
     7  C    0.063679   0.042444  -0.592592  -0.169071  -0.878532   0.031882
     8  C    0.000864  -0.004387   0.117446  -0.013515  -0.086955   0.015559
     9  O    0.000310  -0.011474  -0.046718  -0.118102  -0.055362   0.086285
    10  C    0.051409   0.054996   0.002544  -0.925737  -0.002906  -0.712705
    11  H    0.103432  -0.469929  -0.416691   0.006989   0.123665  -0.054740
    12  H   -0.448618   0.079245  -0.030790   0.123723  -0.001405  -0.408131
    13  H   -0.635237  -0.084099  -0.059289  -1.028512   0.217508   0.177613
    14  H   -0.098811  -0.621762   0.178636   0.219646  -0.673561  -0.242334
    15  H    0.016624  -0.001910  -0.150141  -0.144534   0.049026  -0.003275
    16  C    0.002621   0.000749   0.020855   0.146375   0.049246   0.004099
    17  H    0.000315   0.000390  -0.019304   0.064690  -0.163516   0.009342
    18  H   -0.000257   0.000465  -0.005269   0.030455   0.048269   0.000098
    19  H   -0.004671  -0.002832  -0.002342   0.100940   0.106725  -0.001066
    20  H   -0.008250  -0.009776   0.007647   0.199463  -0.037202   0.067463
    21  H   -0.001045   0.000830   0.000447  -0.065100   0.040356  -0.004076
    22  H    0.000063  -0.000066   0.001794   0.006083  -0.002971  -0.000210
    23  H    0.003115   0.001246   0.002424  -0.147194  -0.013842  -0.003637
               7          8          9         10         11         12
     1  C    0.063679   0.000864   0.000310   0.051409   0.103432  -0.448618
     2  C    0.042444  -0.004387  -0.011474   0.054996  -0.469929   0.079245
     3  C   -0.592592   0.117446  -0.046718   0.002544  -0.416691  -0.030790
     4  C   -0.169071  -0.013515  -0.118102  -0.925737   0.006989   0.123723
     5  C   -0.878532  -0.086955  -0.055362  -0.002906   0.123665  -0.001405
     6  C    0.031882   0.015559   0.086285  -0.712705  -0.054740  -0.408131
     7  C    7.566211  -0.142917   0.234851  -0.258201   0.007442  -0.002763
     8  C   -0.142917   4.633687  -0.183056   0.146578  -0.000181   0.000063
     9  O    0.234851  -0.183056   9.312521  -0.086488   0.001144  -0.000813
    10  C   -0.258201   0.146578  -0.086488   6.220428  -0.004516   0.013714
    11  H    0.007442  -0.000181   0.001144  -0.004516   2.573408  -0.569912
    12  H   -0.002763   0.000063  -0.000813   0.013714  -0.569912   2.507807
    13  H   -0.230358   0.020611  -0.014424   0.004798  -0.617770   0.068947
    14  H   -0.006266  -0.003864   0.013000  -0.182376   0.068005  -0.588162
    15  H    0.089892  -0.112624   0.006504  -0.017071  -0.001530  -0.000034
    16  C    0.026969   0.018729  -0.061592  -0.002246   0.000029  -0.000397
    17  H    0.119369   0.187878   0.054016   0.000513   0.000167  -0.000108
    18  H    0.116020   0.006353  -0.051968  -0.006746   0.000012  -0.000007
    19  H    0.050911  -0.000343  -0.048959  -0.017620   0.000255  -0.001150
    20  H   -0.003665   0.010551  -0.084341  -0.204545   0.000301  -0.002557
    21  H    0.168161  -0.027718   0.014129   0.022982   0.000250   0.000011
    22  H    0.045086  -0.000350  -0.020528  -0.002264   0.000023   0.000000
    23  H    0.187544   0.036772   0.000283  -0.007569   0.000038  -0.000106
              13         14         15         16         17         18
     1  C   -0.635237  -0.098811   0.016624   0.002621   0.000315  -0.000257
     2  C   -0.084099  -0.621762  -0.001910   0.000749   0.000390   0.000465
     3  C   -0.059289   0.178636  -0.150141   0.020855  -0.019304  -0.005269
     4  C   -1.028512   0.219646  -0.144534   0.146375   0.064690   0.030455
     5  C    0.217508  -0.673561   0.049026   0.049246  -0.163516   0.048269
     6  C    0.177613  -0.242334  -0.003275   0.004099   0.009342   0.000098
     7  C   -0.230358  -0.006266   0.089892   0.026969   0.119369   0.116020
     8  C    0.020611  -0.003864  -0.112624   0.018729   0.187878   0.006353
     9  O   -0.014424   0.013000   0.006504  -0.061592   0.054016  -0.051968
    10  C    0.004798  -0.182376  -0.017071  -0.002246   0.000513  -0.006746
    11  H   -0.617770   0.068005  -0.001530   0.000029   0.000167   0.000012
    12  H    0.068947  -0.588162  -0.000034  -0.000397  -0.000108  -0.000007
    13  H    2.834782  -0.022482  -0.024499   0.012999  -0.002199  -0.001983
    14  H   -0.022482   2.597201   0.000670   0.001481   0.001739   0.000320
    15  H   -0.024499   0.000670   1.465291  -0.061759  -0.140287   0.162521
    16  C    0.012999   0.001481  -0.061759   4.183887   0.047031  -0.118419
    17  H   -0.002199   0.001739  -0.140287   0.047031   1.232730  -0.427800
    18  H   -0.001983   0.000320   0.162521  -0.118419  -0.427800   1.754865
    19  H   -0.000718   0.019696  -0.000701   0.002650   0.005488  -0.002868
    20  H   -0.000819   0.047469   0.000552   0.003298  -0.000826   0.006246
    21  H    0.001438  -0.000636  -0.017906   0.221859   0.001571  -0.042329
    22  H    0.003494   0.000008  -0.027621   0.237521   0.013215  -0.006632
    23  H   -0.001795   0.000344   0.061947   0.123986  -0.007846   0.017624
              19         20         21         22         23
     1  C   -0.004671  -0.008250  -0.001045   0.000063   0.003115
     2  C   -0.002832  -0.009776   0.000830  -0.000066   0.001246
     3  C   -0.002342   0.007647   0.000447   0.001794   0.002424
     4  C    0.100940   0.199463  -0.065100   0.006083  -0.147194
     5  C    0.106725  -0.037202   0.040356  -0.002971  -0.013842
     6  C   -0.001066   0.067463  -0.004076  -0.000210  -0.003637
     7  C    0.050911  -0.003665   0.168161   0.045086   0.187544
     8  C   -0.000343   0.010551  -0.027718  -0.000350   0.036772
     9  O   -0.048959  -0.084341   0.014129  -0.020528   0.000283
    10  C   -0.017620  -0.204545   0.022982  -0.002264  -0.007569
    11  H    0.000255   0.000301   0.000250   0.000023   0.000038
    12  H   -0.001150  -0.002557   0.000011   0.000000  -0.000106
    13  H   -0.000718  -0.000819   0.001438   0.003494  -0.001795
    14  H    0.019696   0.047469  -0.000636   0.000008   0.000344
    15  H   -0.000701   0.000552  -0.017906  -0.027621   0.061947
    16  C    0.002650   0.003298   0.221859   0.237521   0.123986
    17  H    0.005488  -0.000826   0.001571   0.013215  -0.007846
    18  H   -0.002868   0.006246  -0.042329  -0.006632   0.017624
    19  H    0.817464  -0.018548   0.000888  -0.000195  -0.000266
    20  H   -0.018548   1.116467  -0.005100   0.000221   0.000496
    21  H    0.000888  -0.005100   0.851253  -0.033945  -0.073866
    22  H   -0.000195   0.000221  -0.033945   0.770411  -0.072082
    23  H   -0.000266   0.000496  -0.073866  -0.072082   1.119094
 Mulliken charges:
               1
     1  C   -0.089801
     2  C   -0.040580
     3  C   -0.416429
     4  C   -0.917096
     5  C   -1.231407
     6  C   -0.636670
     7  C   -0.466093
     8  C    1.380818
     9  O   -0.939219
    10  C    1.913028
    11  H    0.250110
    12  H    0.261441
    13  H    0.381997
    14  H    0.292039
    15  H   -0.149133
    16  C    1.140031
    17  H    0.023433
    18  H   -0.478971
    19  H   -0.002737
    20  H   -0.084543
    21  H   -0.052453
    22  H    0.088944
    23  H   -0.226708
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.160309
     2  C    0.220861
     3  C   -0.034432
     4  C   -0.917096
     5  C   -1.231407
     6  C   -0.344631
     7  C   -0.615226
     8  C    0.925279
     9  O   -0.939219
    10  C    1.825747
    16  C    0.949815
 Electronic spatial extent (au):  <R**2>=           1641.1897
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6294    Y=              0.5182    Z=             -0.8282  Tot=              1.1621
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -66.1730   YY=            -62.9038   ZZ=            -68.7303
   XY=             -3.2630   XZ=              2.8265   YZ=             -0.8537
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2373   YY=              3.0319   ZZ=             -2.7946
   XY=             -3.2630   XZ=              2.8265   YZ=             -0.8537
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              5.9890  YYY=             -7.1193  ZZZ=              0.5294  XYY=              5.1699
  XXY=              8.5342  XXZ=             -3.8433  XZZ=             -9.5212  YZZ=             -3.5337
  YYZ=             -0.2170  XYZ=             -2.9958
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1302.4626 YYYY=           -693.7708 ZZZZ=           -185.3209 XXXY=            -14.7459
 XXXZ=             17.9141 YYYX=              7.9673 YYYZ=            -12.5841 ZZZX=              0.7952
 ZZZY=             -2.5600 XXYY=           -349.6100 XXZZ=           -274.8149 YYZZ=           -150.9141
 XXYZ=             -2.8118 YYXZ=              3.4053 ZZXY=              3.7620
 N-N= 6.087143784258D+02 E-N=-2.291078767506D+03  KE= 4.580453579870D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Jul 18 13:39:24 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.26347213D-01 1.89666481D-01-3.08094183D-01
 Polarizability= 1.39945018D+02-2.82458637D+00 1.23418169D+02
                 2.87767968D+00-3.88014091D+00 8.04670895D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.3803   -1.3811       -1.2402   -1.2415
 2      1.3803    1.3811        1.9958    1.9961       -9.4977   -9.4965
 3      1.2402    1.2415       31.9937   31.9936       -1.9933   -1.9961
 4     -1.9958   -1.9961       -0.0000    0.0000        1.2408    1.2415
 5    -22.4960  -22.4970       -1.2408   -1.2415       -1.3796   -1.3811
 6      1.9933    1.9961        1.3796    1.3811        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.1432    4.1432       -3.7244   -3.7244
 2     -5.9884   -5.9884        0.0000    0.0000       -3.7244   -3.7244
 3     -5.9884   -5.9884        4.1432    4.1432       -0.0000    0.0000
 4      4.1432    4.1432        5.9884    5.9884      -28.4896  -28.4896
 5      3.7244    3.7244       95.9807   95.9807       -5.9884   -5.9884
 6    -67.4911  -67.4911       -3.7244   -3.7244       -4.1432   -4.1432
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0466    0.0000        5.5945    5.5243        4.8586    4.9658
 2     -5.5026   -5.5243       -7.8594   -7.9845       37.9536   37.9861
 3     -4.8602   -4.9658     -127.8451 -127.9743        7.9561    7.9845
 4      7.9657    7.9845        0.0179    0.0000       -5.0518   -4.9658
 5     90.0403   89.9882        5.1313    4.9658        5.4298    5.5243
 6     -8.0340   -7.9845       -5.6092   -5.5243       -0.1592    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1262    0.0000       -6.3176   -6.3696       -2.0293   -1.9849
 2      6.4210    6.3696      -57.1728  -57.1137       29.6586   29.6772
 3      2.1038    1.9849       14.5564   14.5111       57.1969   57.1137
 4     57.2744   57.1137        0.0134    0.0000        1.9533    1.9849
 5    -44.4098  -44.1883       -2.3366   -1.9849       -6.6496   -6.3696
 6    -57.1367  -57.1137        6.3737    6.3696        0.1552    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.2835   -1.4580      -36.6753  -36.7620       -5.4501   -5.4472
 2     88.3189   88.0539      -35.7738  -35.9242       -5.5714   -5.4472
 3     88.3433   88.0539      -36.6021  -36.7620       -6.7974   -6.6880
 4     -0.7482   -0.8378      -89.3075  -89.5119       26.3422   26.3159
 5     -1.1515   -1.2408       34.8174   34.8424       89.6525   89.5119
 6    -61.4164  -61.1582        0.9080    1.2408        0.5073    0.8378
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5276   -2.6609   -0.0007   -0.0004    0.0002    5.4422
 Low frequencies ---   92.0069  119.2389  201.5494
 Diagonal vibrational polarizability:
        4.1634484       3.8790134       8.3476660
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     92.0053               119.2385               201.5491
 Red. masses --      3.0238                 3.0444                 2.8692
 Frc consts  --      0.0151                 0.0255                 0.0687
 IR Inten    --      0.5753                 0.2323                 1.2462
 RamAct Fr= 1--      3.1957                 3.2199                 2.0393
  Dep-P Fr= 1--      0.7490                 0.7444                 0.6552
  Dep-U Fr= 1--      0.8565                 0.8535                 0.7917
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0035
 Beta2  Fr= 1--      0.4562                 0.4580                 0.2691
 AlphaG Fr= 1--     -0.0001                -0.0003                 0.0080
 Gamma2 Fr= 1--      0.3371                 1.0405                 0.4734
 Delta2 Fr= 1--      0.5280                 0.5057                -0.0222
 Raman1 Fr= 1--      12.783                 12.879                  8.157
 ROA1   Fr= 1--      49.256                116.073                 44.739
 CID1   Fr= 1--       3.853                  9.012                  5.485
 Raman2 Fr= 1--       5.474                  5.496                  3.229
 ROA2   Fr= 1--       3.866                 20.928                 11.540
 CID2   Fr= 1--       0.706                  3.808                  3.574
 Raman3 Fr= 1--      10.948                 10.992                  6.458
 ROA3   Fr= 1--      49.256                116.073                 44.739
 CID3   Fr= 1--       4.499                 10.559                  6.928
 RC180  Fr= 1--       0.713                  0.707                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.13    -0.02   0.02  -0.02    -0.02   0.04   0.16
     2   6    -0.00   0.01   0.03    -0.03   0.05   0.18    -0.02   0.02   0.03
     3   6    -0.03   0.00   0.10    -0.01  -0.02  -0.17    -0.01   0.02   0.01
     4   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.13     0.00  -0.01  -0.14
     5   6     0.01  -0.04  -0.10    -0.01   0.00  -0.03    -0.01  -0.01  -0.13
     6   6     0.02  -0.02  -0.09    -0.02   0.04   0.15    -0.01  -0.01  -0.14
     7   6    -0.01  -0.03  -0.04    -0.01  -0.01  -0.01     0.00  -0.02  -0.09
     8   6    -0.08  -0.04   0.14    -0.08   0.03   0.06     0.01  -0.02  -0.05
     9   8     0.06  -0.03   0.12    -0.00  -0.02  -0.01    -0.02   0.09   0.08
    10   6     0.02  -0.05  -0.13    -0.01  -0.01  -0.14    -0.04   0.03   0.14
    11   1    -0.04   0.05   0.24    -0.02   0.02  -0.04    -0.03   0.07   0.35
    12   1     0.00   0.02   0.04    -0.04   0.09   0.35    -0.03   0.03   0.10
    13   1    -0.04   0.01   0.18    -0.01  -0.04  -0.27    -0.01   0.03   0.08
    14   1     0.03  -0.03  -0.15    -0.02   0.07   0.28    -0.01  -0.02  -0.19
    15   1    -0.02  -0.15  -0.14    -0.10   0.03   0.03    -0.06   0.03  -0.05
    16   6     0.05   0.18  -0.14     0.17  -0.06   0.10     0.11  -0.13   0.02
    17   1    -0.24  -0.06   0.11    -0.21   0.06   0.02     0.05  -0.12  -0.00
    18   1    -0.06  -0.02   0.29    -0.06   0.05   0.19     0.01  -0.01  -0.12
    19   1    -0.11   0.10  -0.24    -0.03   0.13  -0.24    -0.11  -0.21   0.31
    20   1     0.11  -0.19  -0.25     0.02  -0.14  -0.24     0.00   0.26   0.31
    21   1     0.04   0.31  -0.04     0.31  -0.10   0.07     0.37  -0.17  -0.01
    22   1     0.06   0.20  -0.18     0.15  -0.06   0.28     0.02  -0.27   0.22
    23   1     0.09   0.19  -0.28     0.21  -0.07   0.03     0.04  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    232.2499               253.9007               322.9162
 Red. masses --      1.1063                 2.8506                 3.1614
 Frc consts  --      0.0352                 0.1083                 0.1942
 IR Inten    --      0.4417                 2.7111                 5.0029
 RamAct Fr= 1--      0.1539                 0.5174                 0.8882
  Dep-P Fr= 1--      0.7435                 0.7473                 0.1771
  Dep-U Fr= 1--      0.8529                 0.8554                 0.3010
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0128
 Beta2  Fr= 1--      0.0219                 0.0738                 0.0446
 AlphaG Fr= 1--     -0.0006                -0.0000                -0.0014
 Gamma2 Fr= 1--     -0.1815                 0.5055                -0.3508
 Delta2 Fr= 1--      0.0580                 0.1435                -0.1521
 Raman1 Fr= 1--       0.616                  2.070                  3.553
 ROA1   Fr= 1--     -15.567                 53.122                -38.541
 CID1   Fr= 1--     -25.291                 25.666                -10.848
 Raman2 Fr= 1--       0.262                  0.885                  0.535
 ROA2   Fr= 1--      -4.819                 10.985                 -7.201
 CID2   Fr= 1--     -18.360                 12.409                -13.469
 Raman3 Fr= 1--       0.525                  1.770                  1.069
 ROA3   Fr= 1--     -15.567                 53.122                -38.541
 CID3   Fr= 1--     -29.654                 30.006                -36.044
 RC180  Fr= 1--       0.706                  0.711                 -0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.06   0.06   0.01    -0.06   0.06  -0.06
     2   6    -0.00  -0.01  -0.02    -0.02   0.06  -0.04    -0.01   0.05  -0.13
     3   6     0.00   0.00   0.02    -0.07   0.00   0.04    -0.09   0.01   0.15
     4   6    -0.00   0.01   0.03    -0.02  -0.05   0.03    -0.01  -0.07   0.07
     5   6    -0.01   0.01   0.03    -0.01  -0.04   0.05    -0.00  -0.06   0.12
     6   6    -0.01   0.00   0.01     0.02   0.01  -0.01     0.03   0.01   0.11
     7   6    -0.01   0.00   0.02     0.01  -0.02   0.03     0.05  -0.05  -0.09
     8   6     0.01  -0.00  -0.01    -0.02   0.01  -0.03     0.03  -0.00  -0.08
     9   8    -0.01  -0.03  -0.04    -0.07  -0.12  -0.17    -0.01   0.14   0.08
    10   6     0.00  -0.01  -0.00    -0.00  -0.06   0.10    -0.08  -0.00  -0.07
    11   1     0.01  -0.02  -0.03    -0.08   0.09   0.01    -0.09   0.08  -0.16
    12   1    -0.00  -0.02  -0.04    -0.00   0.08  -0.10     0.02   0.08  -0.30
    13   1     0.01   0.01   0.02    -0.14  -0.01   0.06    -0.18   0.01   0.22
    14   1    -0.02  -0.00   0.01     0.08   0.02  -0.04     0.11   0.04   0.15
    15   1    -0.02  -0.01   0.01     0.05  -0.05   0.00     0.14  -0.03  -0.07
    16   6     0.02   0.04   0.00     0.21   0.13   0.01     0.13  -0.10  -0.05
    17   1     0.04   0.03  -0.01    -0.03   0.14  -0.08     0.10  -0.15  -0.01
    18   1     0.01  -0.01  -0.03    -0.01   0.01   0.01     0.03   0.03  -0.20
    19   1     0.04  -0.00  -0.01     0.15  -0.25   0.25    -0.19   0.25  -0.25
    20   1    -0.01  -0.01  -0.00    -0.08   0.13   0.26    -0.14  -0.25  -0.25
    21   1     0.55   0.21   0.16     0.05   0.17   0.04     0.23  -0.15  -0.08
    22   1    -0.21  -0.42   0.19     0.32   0.41   0.04     0.11  -0.10   0.08
    23   1    -0.27   0.39  -0.36     0.45  -0.06  -0.04     0.16  -0.12  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    357.2463               385.6409               440.8882
 Red. masses --      3.5440                 2.3758                 3.3059
 Frc consts  --      0.2665                 0.2082                 0.3786
 IR Inten    --      0.2966                 0.4124                 3.9621
 RamAct Fr= 1--      0.3072                 2.5832                 1.2805
  Dep-P Fr= 1--      0.7090                 0.3583                 0.6475
  Dep-U Fr= 1--      0.8297                 0.5275                 0.7860
 Alpha2 Fr= 1--      0.0002                 0.0221                 0.0024
 Beta2  Fr= 1--      0.0425                 0.2271                 0.1678
 AlphaG Fr= 1--     -0.0003                -0.0107                 0.0051
 Gamma2 Fr= 1--     -0.7367                 0.0172                 0.4537
 Delta2 Fr= 1--     -0.2236                 0.1520                 0.0788
 Raman1 Fr= 1--       1.229                 10.333                  5.122
 ROA1   Fr= 1--     -77.873                  6.518                 46.081
 CID1   Fr= 1--     -63.374                  0.631                  8.996
 Raman2 Fr= 1--       0.510                  2.725                  2.013
 ROA2   Fr= 1--     -15.891                 -0.802                 10.259
 CID2   Fr= 1--     -31.174                 -0.294                  5.096
 Raman3 Fr= 1--       1.020                  5.451                  4.026
 ROA3   Fr= 1--     -77.873                  6.518                 46.081
 CID3   Fr= 1--     -76.382                  1.196                 11.446
 RC180  Fr= 1--       0.659                  0.055                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05   0.02    -0.04  -0.04  -0.02    -0.08  -0.08  -0.09
     2   6     0.00  -0.09  -0.11    -0.10  -0.04   0.01    -0.01  -0.05  -0.02
     3   6     0.10   0.10   0.13    -0.02   0.04  -0.00    -0.09  -0.02   0.15
     4   6     0.03   0.14  -0.06    -0.04   0.07  -0.01    -0.07  -0.04  -0.09
     5   6    -0.03   0.16   0.05    -0.07   0.06  -0.04     0.03  -0.04  -0.17
     6   6    -0.09   0.06   0.09    -0.12   0.00   0.00    -0.01  -0.02   0.15
     7   6    -0.04  -0.03  -0.11    -0.04   0.03   0.03    -0.06   0.07  -0.03
     8   6    -0.11  -0.08   0.05     0.17  -0.12  -0.05    -0.02   0.07  -0.01
     9   8    -0.05  -0.12  -0.02     0.07  -0.03   0.07     0.18   0.08  -0.05
    10   6     0.04   0.09   0.01     0.04  -0.02  -0.04     0.12  -0.03   0.03
    11   1     0.15  -0.12   0.02    -0.00  -0.09  -0.02    -0.09  -0.07  -0.15
    12   1    -0.02  -0.20  -0.26    -0.11  -0.07   0.04     0.00   0.00   0.01
    13   1     0.22   0.15   0.26     0.03   0.06   0.01    -0.08   0.03   0.41
    14   1    -0.21   0.05   0.15    -0.19  -0.00   0.02    -0.06   0.03   0.43
    15   1    -0.18  -0.08  -0.14    -0.11   0.01   0.02    -0.04   0.11   0.00
    16   6     0.07  -0.09  -0.06     0.06   0.07   0.05    -0.03   0.02   0.02
    17   1    -0.33  -0.08   0.01     0.56  -0.18   0.05    -0.16   0.14  -0.06
    18   1    -0.08  -0.01   0.24     0.11  -0.27  -0.43    -0.04  -0.03   0.19
    19   1     0.16   0.11  -0.00     0.00   0.06  -0.09     0.08  -0.32   0.23
    20   1     0.12   0.08  -0.01     0.15  -0.08  -0.10     0.12   0.24   0.23
    21   1     0.06  -0.19  -0.13     0.01   0.09   0.06     0.02  -0.02  -0.01
    22   1     0.09   0.01   0.05     0.12   0.23   0.11    -0.05  -0.00   0.07
    23   1     0.16  -0.19   0.01     0.21  -0.03   0.01    -0.05   0.03   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    471.3334               524.9805               554.0479
 Red. masses --      4.0221                 3.5738                 3.5664
 Frc consts  --      0.5265                 0.5803                 0.6450
 IR Inten    --      3.1414                 0.2801                 3.3016
 RamAct Fr= 1--      2.1657                 8.0648                 0.3079
  Dep-P Fr= 1--      0.3582                 0.2041                 0.4262
  Dep-U Fr= 1--      0.5274                 0.3390                 0.5977
 Alpha2 Fr= 1--      0.0185                 0.1083                 0.0021
 Beta2  Fr= 1--      0.1904                 0.4557                 0.0307
 AlphaG Fr= 1--      0.0184                 0.0171                -0.0086
 Gamma2 Fr= 1--     -0.1732                -0.2575                 0.2320
 Delta2 Fr= 1--      0.1181                -0.0686                -0.0194
 Raman1 Fr= 1--       8.663                 32.259                  1.231
 ROA1   Fr= 1--     -12.850                -26.915                 21.656
 CID1   Fr= 1--      -1.483                 -0.834                 17.586
 Raman2 Fr= 1--       2.284                  5.468                  0.368
 ROA2   Fr= 1--      -5.103                 -5.631                  5.724
 CID2   Fr= 1--      -2.234                 -1.030                 15.554
 Raman3 Fr= 1--       4.569                 10.936                  0.736
 ROA3   Fr= 1--     -12.850                -26.915                 21.656
 CID3   Fr= 1--      -2.813                 -2.461                 29.423
 RC180  Fr= 1--       0.055                 -0.322                  0.195
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07   0.14    -0.07   0.04  -0.04     0.01  -0.06  -0.19
     2   6    -0.02  -0.08  -0.03    -0.22   0.03   0.02     0.01   0.01   0.23
     3   6    -0.09  -0.06  -0.12    -0.02   0.10  -0.02    -0.01   0.02   0.10
     4   6    -0.09   0.01   0.05     0.07   0.02   0.07    -0.03   0.06   0.24
     5   6     0.03   0.07   0.25    -0.08  -0.01   0.00     0.03   0.04  -0.06
     6   6    -0.00  -0.08  -0.07    -0.14  -0.04  -0.03     0.02  -0.02  -0.14
     7   6    -0.07   0.04  -0.08     0.22   0.02  -0.02    -0.05  -0.06  -0.03
     8   6    -0.05   0.03  -0.03     0.12   0.09   0.12    -0.09  -0.05  -0.05
     9   8     0.19   0.07  -0.05     0.07  -0.05  -0.01     0.00   0.04   0.00
    10   6     0.15   0.07   0.02     0.02  -0.07   0.01     0.02   0.08  -0.01
    11   1    -0.14  -0.04   0.21     0.02  -0.07  -0.09     0.02  -0.12  -0.52
    12   1     0.01  -0.05  -0.20    -0.22   0.02   0.04     0.00   0.05   0.39
    13   1    -0.02  -0.09  -0.37    -0.10   0.07  -0.09     0.04   0.00  -0.07
    14   1    -0.06  -0.14  -0.37    -0.11  -0.04  -0.10    -0.01  -0.06  -0.32
    15   1    -0.00   0.07  -0.06     0.25  -0.03  -0.07     0.07  -0.08  -0.05
    16   6     0.03  -0.02  -0.01     0.03  -0.09  -0.10     0.06  -0.05  -0.05
    17   1    -0.20   0.07  -0.08    -0.18   0.14   0.05    -0.16  -0.09  -0.05
    18   1    -0.07  -0.07   0.17     0.19   0.26   0.40    -0.08  -0.03   0.00
    19   1     0.30   0.21  -0.08     0.07  -0.14   0.06     0.00  -0.03   0.07
    20   1     0.02  -0.07  -0.07     0.05  -0.01   0.06     0.05   0.18   0.06
    21   1     0.12  -0.10  -0.06    -0.01  -0.20  -0.18     0.15  -0.05  -0.04
    22   1     0.02   0.02   0.16    -0.02  -0.28  -0.24     0.07   0.05   0.12
    23   1     0.09  -0.07  -0.01    -0.17   0.00   0.11     0.18  -0.12  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    621.8870               706.4100               735.3029
 Red. masses --      4.5836                 3.5550                 4.2478
 Frc consts  --      1.0444                 1.0452                 1.3531
 IR Inten    --      4.3133                 9.6296                 2.2974
 RamAct Fr= 1--      2.4243                 0.7652                23.0126
  Dep-P Fr= 1--      0.3279                 0.5369                 0.0448
  Dep-U Fr= 1--      0.4938                 0.6987                 0.0857
 Alpha2 Fr= 1--      0.0228                 0.0031                 0.4603
 Beta2  Fr= 1--      0.1995                 0.0891                 0.3286
 AlphaG Fr= 1--      0.0352                -0.0067                -0.0275
 Gamma2 Fr= 1--      0.1455                -0.3402                -1.7413
 Delta2 Fr= 1--      0.1530                -0.2382                -0.6865
 Raman1 Fr= 1--       9.697                  3.061                 92.050
 ROA1   Fr= 1--      18.865                -40.284               -189.135
 CID1   Fr= 1--       1.945                -13.161                 -2.055
 Raman2 Fr= 1--       2.394                  1.069                  3.944
 ROA2   Fr= 1--       2.269                 -6.259                -36.300
 CID2   Fr= 1--       0.947                 -5.854                 -9.204
 Raman3 Fr= 1--       4.789                  2.139                  7.888
 ROA3   Fr= 1--      18.865                -40.284               -189.135
 CID3   Fr= 1--       3.939                -18.837                -23.979
 RC180  Fr= 1--      -0.012                  0.397                 -0.829
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.18  -0.04   0.00    -0.12  -0.10  -0.08     0.03   0.05  -0.05
     2   6    -0.08  -0.07  -0.03     0.12  -0.02   0.08    -0.10   0.02   0.05
     3   6    -0.08   0.17  -0.05    -0.10  -0.04   0.06     0.07   0.26   0.01
     4   6     0.10   0.00  -0.06    -0.06   0.02  -0.10     0.11   0.05  -0.08
     5   6     0.17   0.04  -0.06     0.05   0.05   0.05     0.07  -0.11   0.11
     6   6     0.08  -0.22   0.06     0.11  -0.03  -0.07     0.08  -0.24   0.01
     7   6     0.06  -0.19   0.14     0.03   0.18  -0.09    -0.09   0.12  -0.11
     8   6    -0.01  -0.03  -0.00     0.10   0.07   0.11    -0.08  -0.03  -0.06
     9   8    -0.08   0.01  -0.02    -0.14  -0.13   0.03     0.02  -0.00   0.01
    10   6     0.05   0.25  -0.01     0.02   0.03   0.03    -0.05  -0.17   0.03
    11   1    -0.10  -0.12   0.15    -0.22   0.02   0.00     0.22  -0.17  -0.09
    12   1    -0.01   0.18   0.04     0.17   0.15   0.19    -0.04   0.14  -0.08
    13   1    -0.08   0.19   0.10    -0.04   0.01   0.26     0.07   0.26   0.03
    14   1     0.02  -0.19   0.22     0.03  -0.04  -0.03     0.25  -0.24  -0.15
    15   1     0.04  -0.15   0.17    -0.04   0.05  -0.20    -0.14   0.12  -0.11
    16   6     0.00  -0.01   0.01     0.01   0.01  -0.04    -0.05   0.08   0.07
    17   1     0.05  -0.02   0.00     0.30   0.05   0.16    -0.10  -0.07  -0.04
    18   1     0.01   0.09  -0.11     0.10   0.07  -0.11    -0.11  -0.16  -0.01
    19   1     0.06   0.28  -0.03     0.05   0.22  -0.09    -0.07  -0.12  -0.01
    20   1     0.10   0.23  -0.05     0.06  -0.12  -0.10    -0.19  -0.23   0.00
    21   1    -0.15   0.25   0.21     0.08  -0.30  -0.29     0.07  -0.09  -0.06
    22   1     0.05  -0.00  -0.27    -0.06  -0.13   0.08    -0.08   0.12   0.32
    23   1    -0.02   0.06  -0.16    -0.12   0.02   0.29    -0.00   0.01   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    744.1165               771.3808               843.9545
 Red. masses --      2.0765                 1.6692                 3.2553
 Frc consts  --      0.6774                 0.5852                 1.3661
 IR Inten    --     26.6792                28.0750                 1.6239
 RamAct Fr= 1--      1.0576                 1.6623                 3.3696
  Dep-P Fr= 1--      0.2836                 0.3977                 0.4317
  Dep-U Fr= 1--      0.4419                 0.5691                 0.6031
 Alpha2 Fr= 1--      0.0114                 0.0124                 0.0222
 Beta2  Fr= 1--      0.0779                 0.1577                 0.3387
 AlphaG Fr= 1--     -0.0117                 0.0125                -0.0441
 Gamma2 Fr= 1--      0.4121                -0.4486                 0.7470
 Delta2 Fr= 1--     -0.0836                 0.2748                 0.2748
 Raman1 Fr= 1--       4.230                  6.649                 13.478
 ROA1   Fr= 1--      36.888                -34.275                 80.508
 CID1   Fr= 1--       8.720                 -5.155                  5.973
 Raman2 Fr= 1--       0.935                  1.892                  4.064
 ROA2   Fr= 1--      10.560                -12.966                 15.731
 CID2   Fr= 1--      11.298                 -6.853                  3.870
 Raman3 Fr= 1--       1.869                  3.784                  8.129
 ROA3   Fr= 1--      36.888                -34.275                 80.508
 CID3   Fr= 1--      19.734                 -9.057                  9.904
 RC180  Fr= 1--      -0.116                  0.138                  0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.13    -0.00   0.00  -0.01     0.08   0.11   0.02
     2   6    -0.05   0.03   0.03     0.01  -0.02  -0.11    -0.16   0.06  -0.02
     3   6     0.02  -0.04   0.04     0.01   0.02  -0.09     0.03  -0.15   0.05
     4   6     0.02  -0.06  -0.12    -0.01   0.04   0.17     0.05  -0.13   0.02
     5   6    -0.04   0.01   0.14     0.01  -0.01  -0.04     0.02  -0.05  -0.04
     6   6    -0.04   0.02  -0.12     0.02  -0.03  -0.00    -0.04  -0.06  -0.01
     7   6     0.00  -0.05   0.03    -0.02   0.04  -0.03     0.05   0.09  -0.08
     8   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.01    -0.08  -0.05  -0.05
     9   8     0.05   0.03  -0.02    -0.01  -0.01   0.01    -0.04  -0.07   0.03
    10   6     0.01   0.02   0.04    -0.01  -0.02  -0.01     0.11   0.19   0.01
    11   1     0.03   0.10   0.39    -0.02   0.08   0.54     0.10   0.06  -0.18
    12   1    -0.11   0.02   0.49    -0.03   0.12   0.54    -0.20  -0.04  -0.04
    13   1    -0.06   0.05   0.56     0.01   0.05   0.10    -0.19  -0.23  -0.12
    14   1    -0.03   0.06   0.09    -0.01   0.06   0.49     0.08  -0.01   0.14
    15   1    -0.04   0.00   0.08     0.09  -0.01  -0.07     0.26   0.03  -0.13
    16   6    -0.01  -0.00   0.02     0.00   0.00  -0.02    -0.02   0.10   0.07
    17   1    -0.06   0.02  -0.04    -0.03  -0.03  -0.00    -0.00  -0.16   0.01
    18   1    -0.01  -0.01   0.05    -0.02  -0.02  -0.00    -0.10  -0.12  -0.12
    19   1     0.12   0.19  -0.08    -0.03  -0.05   0.01     0.15   0.25  -0.03
    20   1    -0.09  -0.15  -0.07     0.01  -0.00   0.01     0.25   0.13  -0.06
    21   1    -0.07   0.12   0.11     0.10  -0.12  -0.11     0.05  -0.17  -0.14
    22   1     0.02   0.02  -0.10    -0.02   0.02   0.15    -0.10  -0.03   0.21
    23   1    -0.01   0.03  -0.07     0.04  -0.05   0.04    -0.13   0.10   0.36
                     19                     20                     21
                      A                      A                      A
 Frequencies --    877.7424               889.5115               935.5473
 Red. masses --      1.3484                 2.7790                 2.7401
 Frc consts  --      0.6121                 1.2955                 1.4130
 IR Inten    --      0.0483                 3.4335                14.7731
 RamAct Fr= 1--      0.8466                 4.3328                 3.8783
  Dep-P Fr= 1--      0.4918                 0.1856                 0.7469
  Dep-U Fr= 1--      0.6594                 0.3131                 0.8551
 Alpha2 Fr= 1--      0.0043                 0.0611                 0.0002
 Beta2  Fr= 1--      0.0930                 0.2261                 0.5528
 AlphaG Fr= 1--     -0.0124                 0.0370                 0.0019
 Gamma2 Fr= 1--      0.5726                 1.7131                -1.2449
 Delta2 Fr= 1--      0.1521                 1.5967                -0.5873
 Raman1 Fr= 1--       3.386                 17.331                 15.513
 ROA1   Fr= 1--      59.835                215.553               -138.306
 CID1   Fr= 1--      17.669                 12.437                 -8.915
 Raman2 Fr= 1--       1.116                  2.713                  6.633
 ROA2   Fr= 1--      12.525                 28.341                -25.179
 CID2   Fr= 1--      11.219                 10.447                 -3.796
 Raman3 Fr= 1--       2.233                  5.426                 13.266
 ROA3   Fr= 1--      59.835                215.553               -138.306
 CID3   Fr= 1--      26.797                 39.728                -10.426
 RC180  Fr= 1--       0.319                 -0.374                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.06     0.10   0.08   0.00     0.02   0.01   0.02
     2   6     0.01  -0.01  -0.04    -0.07   0.03  -0.01    -0.05   0.00   0.02
     3   6    -0.01   0.03   0.09     0.04  -0.04   0.00     0.02   0.01  -0.03
     4   6    -0.00   0.00  -0.05    -0.02  -0.03   0.01    -0.02   0.00   0.01
     5   6    -0.01   0.00   0.03     0.01  -0.05   0.00     0.02   0.00  -0.00
     6   6     0.01  -0.01  -0.10     0.01  -0.09   0.02    -0.01  -0.01  -0.03
     7   6    -0.01  -0.01   0.00    -0.18  -0.00   0.06    -0.04   0.06   0.08
     8   6     0.02   0.01   0.00     0.07   0.08   0.19    -0.13   0.17  -0.11
     9   8     0.01   0.00  -0.01     0.02   0.03  -0.08    -0.06  -0.06   0.11
    10   6    -0.01  -0.01   0.03    -0.01   0.08  -0.01     0.15  -0.10   0.03
    11   1     0.03  -0.08  -0.41     0.15   0.02  -0.04     0.08  -0.06  -0.09
    12   1    -0.01   0.05   0.29    -0.09  -0.02  -0.03    -0.05  -0.06  -0.16
    13   1     0.05  -0.08  -0.53    -0.04  -0.05   0.02     0.01   0.05   0.18
    14   1    -0.05   0.11   0.60     0.12  -0.07   0.04    -0.01   0.03   0.16
    15   1    -0.07   0.03   0.03    -0.38  -0.21  -0.11     0.10   0.32   0.28
    16   6    -0.00  -0.01   0.01    -0.00  -0.08  -0.13     0.05  -0.09  -0.09
    17   1    -0.02   0.02  -0.01     0.47   0.28   0.19     0.19   0.17  -0.03
    18   1     0.02   0.02   0.04    -0.01  -0.13  -0.14    -0.18   0.02  -0.35
    19   1     0.02   0.08  -0.04     0.02   0.04   0.01     0.15   0.00  -0.04
    20   1    -0.06  -0.11  -0.04    -0.09   0.11   0.02     0.28  -0.18  -0.05
    21   1    -0.03   0.05   0.05     0.13  -0.12  -0.16    -0.05   0.09   0.05
    22   1     0.01   0.01  -0.05     0.01   0.04   0.11     0.10  -0.06  -0.30
    23   1     0.01  -0.00  -0.05     0.17  -0.19  -0.21     0.04  -0.03  -0.26
                     22                     23                     24
                      A                      A                      A
 Frequencies --    941.7504               964.2064               977.4966
 Red. masses --      1.3896                 1.2465                 1.6451
 Frc consts  --      0.7261                 0.6828                 0.9261
 IR Inten    --      2.5474                 0.0874                11.6532
 RamAct Fr= 1--      0.5024                 0.0731                 1.3970
  Dep-P Fr= 1--      0.7007                 0.4496                 0.7377
  Dep-U Fr= 1--      0.8240                 0.6203                 0.8490
 Alpha2 Fr= 1--      0.0004                 0.0004                 0.0003
 Beta2  Fr= 1--      0.0690                 0.0076                 0.1977
 AlphaG Fr= 1--      0.0002                -0.0031                 0.0057
 Gamma2 Fr= 1--      0.7984                -0.2370                 0.6313
 Delta2 Fr= 1--     -0.0876                 0.1922                 0.1541
 Raman1 Fr= 1--       2.010                  0.293                  5.588
 ROA1   Fr= 1--      73.847                -16.600                 65.535
 CID1   Fr= 1--      36.744                -56.747                 11.728
 Raman2 Fr= 1--       0.828                  0.091                  2.372
 ROA2   Fr= 1--      19.863                 -7.226                 13.918
 CID2   Fr= 1--      23.987                -79.648                  5.867
 Raman3 Fr= 1--       1.656                  0.181                  4.744
 ROA3   Fr= 1--      73.847                -16.600                 65.535
 CID3   Fr= 1--      44.590                -91.488                 13.813
 RC180  Fr= 1--       0.648                  0.241                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05     0.01  -0.02  -0.09     0.01   0.01  -0.00
     2   6     0.01   0.01   0.08    -0.01   0.02   0.08    -0.03   0.01  -0.01
     3   6     0.00  -0.01  -0.10    -0.00   0.01   0.06     0.00  -0.03   0.00
     4   6     0.00   0.01   0.04    -0.00   0.00   0.01    -0.01   0.01   0.01
     5   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.02  -0.01  -0.04
     6   6     0.01  -0.01  -0.09     0.00  -0.01  -0.04     0.00  -0.02   0.03
     7   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03  -0.03  -0.06
     8   6     0.02  -0.03   0.00     0.01   0.01   0.00     0.13   0.07  -0.05
     9   8     0.01   0.01  -0.02    -0.00  -0.00   0.00    -0.05  -0.03   0.04
    10   6    -0.03   0.01   0.02     0.00   0.00  -0.01     0.04   0.00   0.05
    11   1     0.01  -0.05  -0.27    -0.04   0.11   0.61     0.01   0.01  -0.00
    12   1     0.05  -0.09  -0.48     0.04  -0.10  -0.53    -0.03   0.02   0.02
    13   1    -0.03   0.11   0.54     0.03  -0.08  -0.43    -0.01  -0.03   0.02
    14   1    -0.04   0.10   0.53    -0.02   0.05   0.31     0.03  -0.03  -0.10
    15   1     0.04  -0.06  -0.05    -0.00   0.00   0.00    -0.07   0.03  -0.01
    16   6    -0.01   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.02   0.03
    17   1    -0.07  -0.03  -0.02    -0.00   0.00   0.00    -0.27  -0.02  -0.10
    18   1     0.03   0.00   0.09     0.01   0.02   0.00     0.23   0.39   0.25
    19   1    -0.02   0.07  -0.03    -0.01  -0.01   0.01     0.03   0.16  -0.06
    20   1    -0.07  -0.06  -0.03     0.02   0.01   0.00     0.12  -0.15  -0.08
    21   1     0.04  -0.03  -0.03     0.00   0.01   0.01     0.11   0.14   0.17
    22   1    -0.02   0.03   0.10    -0.00   0.01   0.02    -0.01   0.31   0.33
    23   1     0.02  -0.02   0.03     0.02  -0.01  -0.02     0.25  -0.19  -0.36
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.0376              1037.8521              1063.5107
 Red. masses --      2.0015                 1.8237                 2.4345
 Frc consts  --      1.2366                 1.1574                 1.6224
 IR Inten    --     15.0341                 2.5286                 8.1768
 RamAct Fr= 1--      3.2151                 1.4663                40.0701
  Dep-P Fr= 1--      0.4855                 0.3187                 0.0570
  Dep-U Fr= 1--      0.6536                 0.4834                 0.1079
 Alpha2 Fr= 1--      0.0170                 0.0142                 0.7783
 Beta2  Fr= 1--      0.3502                 0.1181                 0.7208
 AlphaG Fr= 1--      0.0474                 0.0018                -0.0616
 Gamma2 Fr= 1--      1.2772                -0.4152                 1.2622
 Delta2 Fr= 1--      0.3682                -0.0760                 0.7597
 Raman1 Fr= 1--      12.860                  5.865                160.280
 ROA1   Fr= 1--     134.397                -42.297                145.484
 CID1   Fr= 1--      10.450                 -7.211                  0.908
 Raman2 Fr= 1--       4.203                  1.418                  8.650
 ROA2   Fr= 1--      27.708                 -9.357                 24.215
 CID2   Fr= 1--       6.593                 -6.601                  2.799
 Raman3 Fr= 1--       8.406                  2.835                 17.300
 ROA3   Fr= 1--     134.397                -42.297                145.484
 CID3   Fr= 1--      15.988                -14.919                  8.409
 RC180  Fr= 1--       0.307                 -0.033                 -0.784
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.01  -0.04  -0.00     0.11   0.17  -0.02
     2   6     0.00   0.02  -0.00     0.01  -0.02   0.00     0.17  -0.12   0.03
     3   6     0.00  -0.03   0.00    -0.01   0.07   0.00    -0.10   0.09  -0.02
     4   6    -0.03   0.04   0.03     0.02  -0.03   0.00    -0.03  -0.03  -0.00
     5   6    -0.01  -0.03  -0.09     0.02  -0.04  -0.10    -0.05   0.01  -0.00
     6   6     0.01  -0.05   0.04    -0.02   0.09   0.02    -0.06  -0.11   0.02
     7   6    -0.00   0.14   0.02    -0.01  -0.07   0.05     0.00  -0.01   0.00
     8   6     0.02  -0.09  -0.01    -0.04   0.03  -0.01     0.01   0.03  -0.03
     9   8     0.05  -0.04  -0.04     0.02   0.02  -0.04     0.03  -0.03   0.02
    10   6    -0.09   0.07   0.12     0.03  -0.02   0.16    -0.02   0.02   0.00
    11   1    -0.03   0.08   0.04     0.05  -0.10   0.07    -0.03   0.35  -0.07
    12   1     0.04   0.08  -0.05    -0.03  -0.13   0.00     0.10  -0.34   0.07
    13   1     0.03  -0.03  -0.02     0.01   0.05  -0.11    -0.54   0.02  -0.04
    14   1     0.06  -0.07  -0.08    -0.03   0.06  -0.15    -0.50  -0.21  -0.00
    15   1    -0.07   0.42   0.25     0.14  -0.27  -0.13     0.11  -0.01  -0.00
    16   6     0.06  -0.07  -0.03    -0.00   0.05  -0.03     0.00   0.01  -0.00
    17   1    -0.16  -0.07  -0.06     0.09   0.17  -0.04    -0.01   0.03  -0.03
    18   1    -0.01  -0.24   0.26    -0.07  -0.07  -0.07     0.01   0.01   0.02
    19   1    -0.08   0.36  -0.10     0.05   0.44  -0.17     0.02   0.02   0.00
    20   1    -0.15  -0.26  -0.13    -0.12  -0.49  -0.18     0.08   0.02  -0.01
    21   1    -0.11   0.15   0.14     0.10  -0.19  -0.21     0.01  -0.02  -0.02
    22   1     0.11  -0.06  -0.35    -0.08  -0.05   0.19    -0.01  -0.01   0.02
    23   1    -0.03   0.05  -0.17    -0.02  -0.01   0.20    -0.01   0.00   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1088.8058              1131.5103              1144.2251
 Red. masses --      2.1825                 2.1641                 3.4227
 Frc consts  --      1.5244                 1.6325                 2.6402
 IR Inten    --     10.3766                 6.5338                61.9838
 RamAct Fr= 1--      9.4388                 3.3690                 2.1853
  Dep-P Fr= 1--      0.1526                 0.5352                 0.2404
  Dep-U Fr= 1--      0.2649                 0.6972                 0.3877
 Alpha2 Fr= 1--      0.1449                 0.0140                 0.0266
 Beta2  Fr= 1--      0.4167                 0.3915                 0.1412
 AlphaG Fr= 1--     -0.0022                 0.0385                -0.0613
 Gamma2 Fr= 1--     -1.2206                 0.6169                -0.1830
 Delta2 Fr= 1--      0.3676                -0.4052                 0.7067
 Raman1 Fr= 1--      37.755                 13.476                  8.741
 ROA1   Fr= 1--    -105.410                 46.255                  5.045
 CID1   Fr= 1--      -2.792                  3.432                  0.577
 Raman2 Fr= 1--       5.000                  4.698                  1.694
 ROA2   Fr= 1--     -32.235                 18.047                -10.046
 CID2   Fr= 1--      -6.447                  3.842                 -5.929
 Raman3 Fr= 1--      10.000                  9.396                  3.389
 ROA3   Fr= 1--    -105.410                 46.255                  5.045
 CID3   Fr= 1--     -10.541                  4.923                  1.489
 RC180  Fr= 1--      -0.470                  0.394                 -0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04   0.00    -0.00   0.04  -0.01    -0.01  -0.03   0.00
     2   6     0.03  -0.01   0.00    -0.01   0.05  -0.01     0.01   0.01   0.00
     3   6     0.01   0.04   0.01     0.05  -0.09   0.03     0.02   0.04  -0.02
     4   6     0.10  -0.07  -0.05    -0.05   0.07  -0.05    -0.03  -0.03   0.05
     5   6    -0.04  -0.02   0.03    -0.01   0.08   0.01    -0.07  -0.05   0.00
     6   6    -0.00   0.06  -0.01     0.00  -0.11   0.02     0.04   0.02  -0.00
     7   6     0.04   0.06   0.08    -0.02  -0.04   0.17    -0.07  -0.11  -0.12
     8   6    -0.04   0.03  -0.02     0.02  -0.01  -0.12     0.02   0.20  -0.10
     9   8     0.08  -0.09   0.03     0.02  -0.02   0.05     0.13  -0.16   0.08
    10   6    -0.12   0.08  -0.03    -0.05  -0.02  -0.00    -0.16   0.12   0.01
    11   1    -0.05  -0.06  -0.02    -0.18   0.23  -0.06     0.08  -0.13   0.03
    12   1     0.04   0.04   0.02     0.10   0.37  -0.05     0.03   0.06  -0.01
    13   1     0.01   0.03  -0.04     0.32  -0.05  -0.00     0.17   0.08   0.04
    14   1     0.03   0.07  -0.02    -0.12  -0.14   0.01     0.31   0.07   0.02
    15   1     0.44   0.17   0.16     0.01  -0.18   0.05    -0.29  -0.24  -0.23
    16   6    -0.10  -0.02  -0.08     0.03   0.06  -0.08     0.06   0.02   0.09
    17   1     0.08  -0.00   0.03    -0.19   0.16  -0.22     0.12   0.26  -0.09
    18   1    -0.11  -0.26   0.00     0.07   0.11   0.18    -0.01   0.02  -0.02
    19   1    -0.04  -0.06   0.06    -0.08  -0.04   0.01    -0.06   0.04   0.04
    20   1     0.02   0.19   0.04     0.09  -0.01  -0.00     0.20   0.12  -0.03
    21   1     0.25  -0.04  -0.08     0.12  -0.28  -0.34    -0.23   0.06   0.11
    22   1    -0.05   0.24   0.40    -0.08  -0.13   0.12     0.04  -0.17  -0.28
    23   1     0.25  -0.25  -0.27    -0.02  -0.02   0.25    -0.20   0.20   0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1157.1200              1186.3515              1217.2456
 Red. masses --      1.6455                 1.1203                 1.9545
 Frc consts  --      1.2981                 0.9290                 1.7063
 IR Inten    --      2.5336                 0.3320                 1.2603
 RamAct Fr= 1--      2.0645                 5.5276                11.5697
  Dep-P Fr= 1--      0.7491                 0.6054                 0.1489
  Dep-U Fr= 1--      0.8566                 0.7542                 0.2592
 Alpha2 Fr= 1--      0.0000                 0.0148                 0.1794
 Beta2  Fr= 1--      0.2947                 0.6948                 0.4997
 AlphaG Fr= 1--      0.0002                -0.0210                -0.0668
 Gamma2 Fr= 1--      0.3848                -1.0104                -1.6396
 Delta2 Fr= 1--      0.0136                 0.0471                -1.2925
 Raman1 Fr= 1--       8.258                 22.111                 46.279
 ROA1   Fr= 1--      37.374                -95.486               -198.764
 CID1   Fr= 1--       4.526                 -4.319                 -4.295
 Raman2 Fr= 1--       3.537                  8.338                  5.997
 ROA2   Fr= 1--       9.126                -24.625                -29.011
 CID2   Fr= 1--       2.580                 -2.953                 -4.838
 Raman3 Fr= 1--       7.074                 16.676                 11.993
 ROA3   Fr= 1--      37.374                -95.486               -198.764
 CID3   Fr= 1--       5.284                 -5.726                -16.573
 RC180  Fr= 1--       0.713                  0.508                 -0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.04  -0.04   0.01    -0.07  -0.03   0.00
     2   6    -0.02  -0.03   0.00     0.02   0.06  -0.01     0.03   0.00   0.00
     3   6    -0.06   0.06  -0.01    -0.03  -0.01   0.00     0.02  -0.01  -0.00
     4   6    -0.05  -0.03  -0.02     0.01  -0.00   0.00     0.22  -0.03   0.05
     5   6     0.01  -0.03   0.03     0.01   0.01   0.00     0.02  -0.07   0.02
     6   6     0.05   0.06  -0.01    -0.03   0.00  -0.00    -0.07   0.05  -0.02
     7   6    -0.05   0.04   0.09    -0.01   0.00  -0.00    -0.05   0.05   0.02
     8   6     0.07  -0.06  -0.06     0.00   0.00  -0.01     0.01  -0.02  -0.04
     9   8    -0.03   0.00   0.02     0.00  -0.00   0.00    -0.02   0.01   0.01
    10   6     0.01   0.03  -0.03    -0.01  -0.00   0.00     0.03   0.01  -0.00
    11   1     0.31  -0.32   0.08     0.39  -0.45   0.11    -0.31   0.23  -0.06
    12   1    -0.15  -0.37   0.06     0.20   0.55  -0.08     0.02  -0.04   0.01
    13   1    -0.28   0.02  -0.04    -0.37  -0.08  -0.01    -0.20  -0.06  -0.00
    14   1     0.40   0.13   0.01    -0.35  -0.06  -0.01    -0.23   0.02  -0.02
    15   1    -0.09   0.07   0.12    -0.04  -0.01  -0.01    -0.77   0.01   0.01
    16   6     0.04   0.02  -0.06     0.00   0.00  -0.00     0.02   0.00  -0.03
    17   1    -0.23   0.01  -0.14    -0.00   0.01  -0.01    -0.10   0.10  -0.11
    18   1     0.13   0.08   0.25    -0.00  -0.00   0.00     0.02   0.01   0.07
    19   1    -0.11  -0.05   0.03    -0.02  -0.00   0.00    -0.06  -0.00   0.01
    20   1     0.12   0.12   0.01    -0.00   0.00   0.00     0.15   0.03  -0.01
    21   1     0.04  -0.14  -0.18    -0.01   0.00   0.00    -0.02  -0.03  -0.06
    22   1    -0.02  -0.10  -0.02     0.00  -0.00  -0.01     0.00  -0.02  -0.01
    23   1    -0.03   0.02   0.12    -0.01   0.00   0.01    -0.04   0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1228.9168              1254.4697              1286.4224
 Red. masses --      2.9533                 1.1474                 1.5934
 Frc consts  --      2.6279                 1.0638                 1.5536
 IR Inten    --     10.0118                 8.6617                 4.6922
 RamAct Fr= 1--     21.0461                 4.1837                 5.2954
  Dep-P Fr= 1--      0.1172                 0.4667                 0.2743
  Dep-U Fr= 1--      0.2098                 0.6364                 0.4305
 Alpha2 Fr= 1--      0.3532                 0.0239                 0.0586
 Beta2  Fr= 1--      0.7359                 0.4437                 0.3800
 AlphaG Fr= 1--      0.0144                 0.0471                 0.0365
 Gamma2 Fr= 1--     -1.3536                -0.5140                 2.6279
 Delta2 Fr= 1--     -0.7819                -2.2071                -1.3145
 Raman1 Fr= 1--      84.185                 16.735                 21.181
 ROA1   Fr= 1--    -154.965               -119.974                210.217
 CID1   Fr= 1--      -1.841                 -7.169                  9.925
 Raman2 Fr= 1--       8.831                  5.325                  4.560
 ROA2   Fr= 1--     -26.231                  5.320                 73.586
 CID2   Fr= 1--      -2.970                  0.999                 16.138
 Raman3 Fr= 1--      17.663                 10.649                  9.120
 ROA3   Fr= 1--    -154.965               -119.974                210.217
 CID3   Fr= 1--      -8.774                -11.266                 23.051
 RC180  Fr= 1--      -0.580                  0.273                 -0.139
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     2   6    -0.11  -0.00  -0.01     0.01   0.00   0.00     0.02  -0.02   0.01
     3   6    -0.05  -0.11   0.02    -0.01  -0.00  -0.00    -0.01  -0.04   0.01
     4   6     0.06   0.09  -0.01    -0.01   0.03   0.00     0.02   0.10  -0.01
     5   6     0.26   0.18  -0.01    -0.03  -0.03  -0.03    -0.11   0.05  -0.01
     6   6     0.04   0.03  -0.00    -0.01  -0.01   0.01     0.01  -0.05   0.01
     7   6     0.01  -0.02  -0.01     0.03  -0.00   0.03     0.10  -0.01   0.01
     8   6    -0.03   0.05  -0.03    -0.03   0.01  -0.01    -0.07  -0.01   0.00
     9   8     0.06  -0.06   0.03     0.04  -0.02   0.02     0.02   0.02  -0.03
    10   6    -0.14  -0.06   0.01    -0.01   0.02  -0.01    -0.00  -0.03   0.03
    11   1    -0.02   0.04  -0.01     0.01  -0.01   0.01    -0.04   0.03  -0.01
    12   1    -0.29  -0.46   0.07     0.02   0.01  -0.01     0.06   0.09  -0.01
    13   1    -0.48  -0.20   0.01    -0.07  -0.01  -0.01    -0.49  -0.13  -0.00
    14   1    -0.14   0.01  -0.00     0.13   0.01   0.00     0.61   0.06   0.03
    15   1    -0.04  -0.04  -0.04    -0.27   0.06   0.09    -0.20  -0.15  -0.10
    16   6    -0.01   0.00   0.01    -0.00   0.02  -0.02    -0.03  -0.01  -0.00
    17   1     0.07   0.08  -0.01    -0.03  -0.37   0.14     0.08   0.12  -0.02
    18   1    -0.06  -0.06  -0.04     0.06   0.41  -0.22    -0.07  -0.02  -0.12
    19   1    -0.18  -0.11   0.02     0.54  -0.00  -0.01    -0.11   0.04  -0.02
    20   1    -0.39  -0.09   0.03    -0.45   0.01   0.03     0.37  -0.07  -0.04
    21   1     0.00   0.01   0.02     0.05  -0.05  -0.08     0.07   0.05   0.06
    22   1     0.00   0.02   0.02    -0.02  -0.01   0.04     0.00   0.09   0.07
    23   1     0.00  -0.00  -0.01     0.02  -0.02   0.05     0.04  -0.06  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1310.0657              1332.4839              1348.4035
 Red. masses --      1.4228                 2.3005                 1.5786
 Frc consts  --      1.4387                 2.4066                 1.6910
 IR Inten    --      3.2855                 0.5223                 3.7080
 RamAct Fr= 1--      8.2018                11.1450                11.0584
  Dep-P Fr= 1--      0.1993                 0.2711                 0.4226
  Dep-U Fr= 1--      0.3324                 0.4265                 0.5941
 Alpha2 Fr= 1--      0.1116                 0.1244                 0.0754
 Beta2  Fr= 1--      0.4544                 0.7922                 1.0949
 AlphaG Fr= 1--      0.1011                -0.1327                -0.1488
 Gamma2 Fr= 1--     -1.1618                -0.6897                -0.7585
 Delta2 Fr= 1--      1.9837                 1.5261                -2.3204
 Raman1 Fr= 1--      32.807                 44.580                 44.233
 ROA1   Fr= 1--     -48.056                -17.375               -147.070
 CID1   Fr= 1--      -1.465                 -0.390                 -3.325
 Raman2 Fr= 1--       5.452                  9.507                 13.139
 ROA2   Fr= 1--     -43.754                -28.762                  0.359
 CID2   Fr= 1--      -8.025                 -3.025                  0.027
 Raman3 Fr= 1--      10.905                 19.014                 26.278
 ROA3   Fr= 1--     -48.056                -17.375               -147.070
 CID3   Fr= 1--      -4.407                 -0.914                 -5.597
 RC180  Fr= 1--      -0.335                 -0.147                  0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.01    -0.08   0.07  -0.02     0.04  -0.04   0.01
     2   6    -0.01  -0.05   0.01    -0.05  -0.10   0.02     0.02   0.04  -0.01
     3   6     0.06  -0.00   0.01     0.12   0.00   0.00    -0.05  -0.01  -0.00
     4   6     0.04  -0.04   0.00     0.02  -0.11   0.03     0.00   0.07   0.01
     5   6    -0.05   0.07  -0.04    -0.05   0.14  -0.02     0.01  -0.04  -0.00
     6   6     0.04   0.00   0.01     0.10   0.03   0.00    -0.06  -0.02  -0.00
     7   6    -0.05   0.04   0.00    -0.07  -0.08  -0.04     0.03  -0.13  -0.08
     8   6     0.05  -0.01  -0.02     0.02   0.04   0.04     0.03   0.02   0.02
     9   8    -0.05   0.03   0.05     0.01   0.02  -0.05    -0.04   0.01   0.03
    10   6    -0.01  -0.03  -0.03    -0.05  -0.05   0.03     0.02   0.01  -0.02
    11   1    -0.03   0.00  -0.00     0.02  -0.05   0.01    -0.05   0.06  -0.01
    12   1     0.04   0.10  -0.02     0.04   0.15  -0.02     0.01   0.00   0.00
    13   1    -0.22  -0.06  -0.01    -0.24  -0.07   0.01    -0.01   0.00   0.01
    14   1     0.11   0.02   0.00    -0.05   0.00  -0.01     0.16   0.02   0.01
    15   1     0.17  -0.20  -0.20    -0.07   0.48   0.43    -0.05   0.51   0.45
    16   6     0.01  -0.03   0.02     0.02   0.05  -0.03    -0.01   0.06  -0.02
    17   1    -0.04   0.26  -0.14    -0.03  -0.38   0.19     0.12   0.34  -0.08
    18   1    -0.03  -0.34   0.24     0.03   0.07  -0.06    -0.07  -0.40   0.17
    19   1     0.65  -0.00  -0.04    -0.03   0.04  -0.04     0.18   0.00  -0.01
    20   1    -0.26   0.04   0.04     0.32  -0.06  -0.02    -0.15   0.05   0.03
    21   1    -0.05   0.06   0.08    -0.02  -0.09  -0.14     0.03  -0.07  -0.11
    22   1     0.04   0.01  -0.06    -0.06  -0.09   0.07    -0.09  -0.07   0.12
    23   1    -0.04   0.03  -0.05    -0.03   0.03   0.14     0.04  -0.03   0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1359.6073              1382.8457              1403.0985
 Red. masses --      1.8434                 1.2976                 1.2715
 Frc consts  --      2.0076                 1.4619                 1.4749
 IR Inten    --      2.6903                 3.4691                 7.5370
 RamAct Fr= 1--      3.9863                 0.7707                 2.3240
  Dep-P Fr= 1--      0.0624                 0.4215                 0.2688
  Dep-U Fr= 1--      0.1174                 0.5930                 0.4237
 Alpha2 Fr= 1--      0.0764                 0.0053                 0.0261
 Beta2  Fr= 1--      0.0780                 0.0762                 0.1641
 AlphaG Fr= 1--      0.0741                 0.0081                -0.0224
 Gamma2 Fr= 1--      0.4721                -0.1081                 0.3292
 Delta2 Fr= 1--      0.8916                -0.1863                -0.0779
 Raman1 Fr= 1--      15.945                  3.083                  9.296
 ROA1   Fr= 1--      73.856                -16.340                 29.115
 CID1   Fr= 1--       4.632                 -5.300                  3.132
 Raman2 Fr= 1--       0.936                  0.914                  1.969
 ROA2   Fr= 1--       4.198                 -1.104                  8.525
 CID2   Fr= 1--       4.485                 -1.208                  4.329
 Raman3 Fr= 1--       1.872                  1.828                  3.938
 ROA3   Fr= 1--      73.856                -16.340                 29.115
 CID3   Fr= 1--      39.448                 -8.938                  7.392
 RC180  Fr= 1--      -0.765                  0.186                 -0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.08   0.02     0.02  -0.00   0.00     0.01  -0.00   0.00
     2   6     0.02   0.04  -0.01     0.01   0.04  -0.01     0.01   0.03  -0.00
     3   6    -0.02  -0.01   0.00    -0.05  -0.01  -0.00    -0.03  -0.01   0.00
     4   6     0.10   0.08  -0.02    -0.01   0.01   0.00     0.01   0.00  -0.00
     5   6     0.01  -0.03   0.01     0.04  -0.01   0.00     0.02  -0.00   0.00
     6   6    -0.09  -0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
     7   6    -0.17  -0.02   0.01     0.04  -0.00   0.03    -0.02   0.01  -0.01
     8   6     0.05   0.05   0.02     0.02   0.07  -0.01    -0.02  -0.04   0.01
     9   8    -0.00  -0.00  -0.03    -0.02   0.03  -0.02     0.01   0.02  -0.00
    10   6     0.00  -0.00   0.01    -0.08  -0.04   0.01    -0.07  -0.03   0.01
    11   1    -0.21   0.20  -0.06     0.08  -0.07   0.02     0.04  -0.04   0.01
    12   1     0.04   0.09  -0.01    -0.06  -0.14   0.02    -0.04  -0.10   0.01
    13   1    -0.24  -0.05  -0.01     0.18   0.03   0.01     0.11   0.02  -0.00
    14   1     0.29   0.05   0.01    -0.09  -0.03  -0.00    -0.05  -0.02  -0.00
    15   1     0.62  -0.03  -0.02    -0.19  -0.12  -0.06     0.08   0.06   0.03
    16   6     0.05   0.00   0.01    -0.02   0.02   0.02     0.04  -0.05  -0.09
    17   1    -0.13  -0.42   0.16    -0.14  -0.40   0.13     0.09   0.13  -0.02
    18   1     0.05   0.07  -0.01    -0.11  -0.42   0.07     0.05   0.21  -0.01
    19   1    -0.02   0.00  -0.00     0.40   0.06  -0.06     0.28   0.08  -0.06
    20   1     0.09  -0.00  -0.00     0.48   0.05  -0.00     0.32   0.06   0.02
    21   1    -0.17  -0.04  -0.03     0.07  -0.09  -0.06    -0.16   0.37   0.26
    22   1     0.00  -0.12  -0.07    -0.01  -0.05  -0.11     0.02   0.14   0.43
    23   1    -0.06   0.09  -0.01     0.10  -0.05  -0.08    -0.28   0.08   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.1794              1486.7781              1490.0524
 Red. masses --      1.3198                 1.6298                 1.1659
 Frc consts  --      1.5706                 2.1227                 1.5252
 IR Inten    --      9.9674                 9.4606                 1.4798
 RamAct Fr= 1--      4.8466                 4.4510                14.9430
  Dep-P Fr= 1--      0.5179                 0.5390                 0.6420
  Dep-U Fr= 1--      0.6824                 0.7004                 0.7820
 Alpha2 Fr= 1--      0.0220                 0.0181                 0.0291
 Beta2  Fr= 1--      0.5512                 0.5196                 1.9475
 AlphaG Fr= 1--     -0.0547                -0.0037                 0.0353
 Gamma2 Fr= 1--     -0.3668                -0.0973                -0.0822
 Delta2 Fr= 1--      0.0957                 2.2502                 0.1679
 Raman1 Fr= 1--      19.387                 17.804                 59.772
 ROA1   Fr= 1--     -32.150                 62.669                 -2.515
 CID1   Fr= 1--      -1.658                  3.520                 -0.042
 Raman2 Fr= 1--       6.614                  6.235                 23.370
 ROA2   Fr= 1--      -9.569                -20.336                 -3.315
 CID2   Fr= 1--      -1.447                 -3.261                 -0.142
 Raman3 Fr= 1--      13.229                 12.470                 46.739
 ROA3   Fr= 1--     -32.150                 62.669                 -2.515
 CID3   Fr= 1--      -2.430                  5.025                 -0.054
 RC180  Fr= 1--       0.365                  0.401                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00     0.10  -0.05   0.02    -0.04   0.03  -0.01
     2   6     0.01   0.02  -0.00    -0.07  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.00   0.00     0.01   0.07  -0.01    -0.01  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.08  -0.06   0.01     0.03   0.01   0.00
     5   6     0.02  -0.01  -0.00     0.09  -0.01   0.01    -0.04   0.02  -0.01
     6   6    -0.01  -0.00  -0.00    -0.04   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.03   0.01  -0.03     0.02   0.02   0.00    -0.01   0.01   0.00
     8   6    -0.03  -0.09   0.03     0.00   0.00  -0.01     0.03   0.01   0.02
     9   8     0.02   0.02   0.00     0.00  -0.01   0.00     0.01  -0.01   0.01
    10   6    -0.08  -0.03   0.01    -0.02  -0.05  -0.00     0.02  -0.05   0.00
    11   1     0.01  -0.02   0.00    -0.24   0.34  -0.08     0.11  -0.14   0.03
    12   1    -0.03  -0.07   0.01     0.10   0.40  -0.07    -0.03  -0.15   0.02
    13   1     0.02   0.00   0.00    -0.09   0.06  -0.02     0.07  -0.01   0.01
    14   1    -0.05  -0.01  -0.00     0.11   0.09  -0.01     0.01  -0.03   0.01
    15   1     0.16   0.11   0.05    -0.09  -0.01  -0.02     0.01  -0.02  -0.02
    16   6    -0.02   0.03   0.07    -0.02  -0.01  -0.01     0.01   0.02  -0.01
    17   1     0.14   0.39  -0.11    -0.01  -0.02  -0.00    -0.34   0.07  -0.09
    18   1     0.10   0.44  -0.11     0.00   0.01   0.00    -0.03  -0.08  -0.34
    19   1     0.28   0.11  -0.08    -0.04   0.37  -0.28    -0.14   0.37  -0.27
    20   1     0.31   0.09   0.04     0.02   0.37   0.30    -0.14   0.34   0.30
    21   1     0.08  -0.28  -0.19     0.22   0.07   0.07    -0.20   0.10   0.05
    22   1    -0.01  -0.09  -0.30     0.04   0.07  -0.12    -0.13  -0.28   0.10
    23   1     0.16  -0.02  -0.28    -0.00  -0.06   0.15     0.19  -0.13  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1493.8160              1504.3650              1506.9346
 Red. masses --      1.0923                 1.1050                 1.1550
 Frc consts  --      1.4361                 1.4734                 1.5453
 IR Inten    --      6.0169                 1.5069                 6.3065
 RamAct Fr= 1--      3.5250                 5.7796                 3.6135
  Dep-P Fr= 1--      0.6850                 0.7496                 0.3074
  Dep-U Fr= 1--      0.8131                 0.8569                 0.4702
 Alpha2 Fr= 1--      0.0040                 0.0000                 0.0362
 Beta2  Fr= 1--      0.4777                 0.8254                 0.2832
 AlphaG Fr= 1--      0.0273                -0.0018                -0.0281
 Gamma2 Fr= 1--     -2.3963                 0.2491                -0.7409
 Delta2 Fr= 1--     -1.3596                -1.2316                 0.8872
 Raman1 Fr= 1--      14.100                 23.118                 14.454
 ROA1   Fr= 1--    -273.551                -15.497                -42.741
 CID1   Fr= 1--     -19.401                 -0.670                 -2.957
 Raman2 Fr= 1--       5.732                  9.905                  3.398
 ROA2   Fr= 1--     -46.634                 15.832                -24.880
 CID2   Fr= 1--      -8.136                  1.598                 -7.321
 Raman3 Fr= 1--      11.464                 19.810                  6.796
 ROA3   Fr= 1--    -273.551                -15.497                -42.741
 CID3   Fr= 1--     -23.861                 -0.782                 -6.289
 RC180  Fr= 1--       0.626                  0.714                 -0.060
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.00    -0.02   0.01  -0.00    -0.04   0.01  -0.00
     2   6     0.02   0.02  -0.00     0.02   0.03  -0.00     0.02   0.03  -0.00
     3   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.02  -0.02   0.00
     4   6     0.02   0.01   0.00     0.02   0.01  -0.00     0.02   0.02  -0.00
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.00    -0.03  -0.01  -0.00
     6   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     7   6     0.00  -0.02   0.01    -0.04  -0.02  -0.01    -0.02  -0.00  -0.00
     8   6    -0.01   0.01  -0.01     0.03   0.01   0.03    -0.04   0.01  -0.05
     9   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    10   6     0.02  -0.03   0.00     0.00   0.01   0.00     0.03  -0.03   0.00
    11   1     0.07  -0.09   0.02     0.04  -0.07   0.02     0.05  -0.10   0.02
    12   1    -0.01  -0.08   0.01    -0.03  -0.10   0.02    -0.04  -0.14   0.02
    13   1     0.06  -0.01  -0.00     0.00  -0.02  -0.00    -0.02  -0.03   0.00
    14   1     0.03  -0.01   0.01    -0.03  -0.02   0.00    -0.05  -0.03   0.00
    15   1    -0.03   0.02   0.05     0.08   0.03   0.03     0.05  -0.03  -0.03
    16   6     0.01  -0.04   0.02    -0.04  -0.02  -0.01    -0.02   0.01  -0.00
    17   1     0.09  -0.07   0.04    -0.28   0.06  -0.06     0.50  -0.17   0.14
    18   1    -0.01  -0.02   0.12    -0.01  -0.04  -0.28     0.03   0.12   0.53
    19   1    -0.09   0.22  -0.17    -0.00  -0.02   0.02    -0.08   0.17  -0.13
    20   1    -0.09   0.21   0.19    -0.01  -0.03  -0.02    -0.06   0.16   0.14
    21   1     0.00  -0.29  -0.21     0.61   0.08   0.10     0.21   0.14   0.12
    22   1     0.21   0.48   0.07     0.16   0.27  -0.38    -0.04  -0.14  -0.19
    23   1    -0.39   0.39  -0.22    -0.11  -0.05   0.38     0.15  -0.20   0.22
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2893              1625.7984              1651.6722
 Red. masses --      2.3865                 6.4059                 5.7908
 Frc consts  --      3.2971                 9.9762                 9.3076
 IR Inten    --     15.9820                 2.1688                 1.3194
 RamAct Fr= 1--      1.1694                15.9767                30.5130
  Dep-P Fr= 1--      0.5405                 0.4509                 0.7265
  Dep-U Fr= 1--      0.7017                 0.6216                 0.8416
 Alpha2 Fr= 1--      0.0047                 0.0976                 0.0123
 Beta2  Fr= 1--      0.1368                 1.6551                 4.2800
 AlphaG Fr= 1--     -0.0291                -0.2655                -0.0107
 Gamma2 Fr= 1--     -0.7956                 2.8183                -1.7849
 Delta2 Fr= 1--      0.3539                -1.5762                 3.2791
 Raman1 Fr= 1--       4.678                 63.907                122.052
 ROA1   Fr= 1--     -65.057                220.124                -66.417
 CID1   Fr= 1--     -13.908                  3.444                 -0.544
 Raman2 Fr= 1--       1.641                 19.861                 51.360
 ROA2   Fr= 1--     -21.926                 80.250                -69.069
 CID2   Fr= 1--     -13.360                  4.041                 -1.345
 Raman3 Fr= 1--       3.282                 39.723                102.720
 ROA3   Fr= 1--     -65.057                220.124                -66.417
 CID3   Fr= 1--     -19.820                  5.542                 -0.647
 RC180  Fr= 1--       0.403                  0.243                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.02     0.15  -0.29   0.06    -0.21   0.05  -0.02
     2   6    -0.05   0.09  -0.02     0.03   0.33  -0.06     0.18   0.12  -0.01
     3   6     0.16   0.04   0.00    -0.03   0.15  -0.03     0.33   0.04   0.01
     4   6    -0.11   0.11  -0.03    -0.00  -0.32   0.06    -0.21  -0.08   0.00
     5   6    -0.05  -0.14   0.02    -0.11   0.30  -0.06     0.23   0.00   0.02
     6   6     0.16   0.02   0.01     0.02  -0.15   0.03    -0.33  -0.08  -0.01
     7   6     0.02  -0.03   0.01     0.01   0.04  -0.01     0.03   0.01   0.00
     8   6     0.01   0.01   0.01     0.00  -0.01  -0.00     0.01   0.00   0.00
     9   8     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.02  -0.00     0.02  -0.03   0.01    -0.03   0.00  -0.00
    11   1    -0.25   0.14  -0.04    -0.33   0.24  -0.07     0.04  -0.27   0.05
    12   1    -0.18  -0.22   0.03    -0.22  -0.35   0.05     0.06  -0.26   0.05
    13   1    -0.54  -0.09  -0.02    -0.05   0.15  -0.03    -0.42  -0.10  -0.00
    14   1    -0.54  -0.12  -0.02     0.02  -0.16   0.03     0.45   0.07   0.02
    15   1     0.10  -0.02   0.01    -0.20   0.03   0.00    -0.07  -0.01  -0.01
    16   6     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.01
    17   1    -0.08   0.02  -0.02     0.01  -0.01  -0.00    -0.03  -0.00  -0.00
    18   1    -0.02  -0.06  -0.08     0.02   0.05   0.02     0.00  -0.02  -0.02
    19   1     0.07   0.11  -0.07    -0.11  -0.08   0.04     0.04  -0.04   0.03
    20   1     0.09   0.13   0.07    -0.16  -0.12  -0.04     0.07  -0.01  -0.03
    21   1    -0.08  -0.03  -0.03    -0.00  -0.01  -0.01    -0.03   0.01   0.00
    22   1     0.01   0.03   0.08    -0.01  -0.01   0.00    -0.00   0.01   0.05
    23   1    -0.05   0.06  -0.06     0.02  -0.01  -0.03    -0.01   0.01  -0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.9015              2973.9070              3016.6346
 Red. masses --      1.0729                 1.0708                 1.0828
 Frc consts  --      5.4786                 5.5796                 5.8057
 IR Inten    --     53.9367                59.4086                33.5760
 RamAct Fr= 1--    203.0928               113.1339               130.7903
  Dep-P Fr= 1--      0.1867                 0.2018                 0.2032
  Dep-U Fr= 1--      0.3147                 0.3358                 0.3378
 Alpha2 Fr= 1--      2.8560                 1.5290                 1.7612
 Beta2  Fr= 1--     10.6530                 6.3324                 7.3624
 AlphaG Fr= 1--      3.2006                -0.3773                -2.7178
 Gamma2 Fr= 1--      9.9326               -10.3726               -11.9985
 Delta2 Fr= 1--      5.2717                -1.8529                -3.1187
 Raman1 Fr= 1--     812.371                452.536                523.161
 ROA1   Fr= 1--    1122.222              -1055.066              -1251.657
 CID1   Fr= 1--       1.381                 -2.331                 -2.392
 Raman2 Fr= 1--     127.836                 75.989                 88.349
 ROA2   Fr= 1--     196.208               -234.120               -263.016
 CID2   Fr= 1--       1.535                 -3.081                 -2.977
 Raman3 Fr= 1--     255.671                151.978                176.698
 ROA3   Fr= 1--    1122.222              -1055.066              -1251.657
 CID3   Fr= 1--       4.389                 -6.942                 -7.084
 RC180  Fr= 1--      -0.371                 -0.328                 -0.324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.01   0.01    -0.00   0.05  -0.06
     8   6     0.00   0.00   0.00     0.00  -0.03  -0.07     0.00  -0.00  -0.01
     9   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00    -0.01   0.10  -0.13     0.02  -0.62   0.75
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    17   1     0.01  -0.03  -0.05    -0.19   0.33   0.88    -0.03   0.06   0.15
    18   1    -0.02   0.00   0.00     0.19  -0.06  -0.02     0.02  -0.00  -0.00
    19   1    -0.01   0.56   0.82    -0.01   0.03   0.04    -0.00   0.01   0.01
    20   1    -0.02   0.05  -0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.03  -0.04
    22   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.10   0.04  -0.02
    23   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.05   0.05   0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.0658              3075.6648              3085.9820
 Red. masses --      1.0363                 1.0879                 1.0935
 Frc consts  --      5.6171                 6.0636                 6.1354
 IR Inten    --     31.9269                21.3002                27.4126
 RamAct Fr= 1--    223.7837               117.4245               131.5398
  Dep-P Fr= 1--      0.0445                 0.3393                 0.2399
  Dep-U Fr= 1--      0.0852                 0.5067                 0.3870
 Alpha2 Fr= 1--      4.4787                 1.0669                 1.6033
 Beta2  Fr= 1--      3.1775                 9.9164                 8.4847
 AlphaG Fr= 1--      0.4300                -1.9657                -0.1580
 Gamma2 Fr= 1--      1.1839                -3.5798                 2.1442
 Delta2 Fr= 1--      1.7167                -0.9056                 0.2298
 Raman1 Fr= 1--     895.135                469.698                526.159
 ROA1   Fr= 1--     168.589               -372.637                213.199
 CID1   Fr= 1--       0.188                 -0.793                  0.405
 Raman2 Fr= 1--      38.130                118.996                101.816
 ROA2   Fr= 1--      14.680                -78.670                 49.623
 CID2   Fr= 1--       0.385                 -0.661                  0.487
 Raman3 Fr= 1--      76.260                237.993                203.633
 ROA3   Fr= 1--     168.589               -372.637                213.199
 CID3   Fr= 1--       2.211                 -1.566                  1.047
 RC180  Fr= 1--      -0.830                  0.013                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.08   0.03   0.02
     9   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.04  -0.07     0.00  -0.01   0.01
    11   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.02  -0.01     0.00  -0.01   0.00
    15   1     0.00  -0.05   0.06     0.00   0.00  -0.00    -0.00  -0.01   0.01
    16   6    -0.03   0.03   0.03     0.00   0.00   0.00     0.01   0.00   0.01
    17   1    -0.00   0.01   0.03     0.00  -0.01  -0.02     0.02  -0.06  -0.16
    18   1    -0.03   0.01   0.00     0.09  -0.02  -0.01     0.92  -0.25  -0.06
    19   1    -0.00   0.00   0.00     0.00   0.07   0.07     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.10  -0.59   0.79    -0.01   0.06  -0.08
    21   1     0.01   0.32  -0.38     0.00   0.00  -0.00     0.01   0.06  -0.07
    22   1     0.65  -0.27   0.11    -0.01   0.00  -0.00    -0.09   0.04  -0.02
    23   1    -0.32  -0.36  -0.11    -0.01  -0.01  -0.00    -0.08  -0.11  -0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3096.2558              3111.1214              3153.7078
 Red. masses --      1.0997                 1.1022                 1.0870
 Frc consts  --      6.2116                 6.2858                 6.3697
 IR Inten    --     45.6651                16.4119                14.1620
 RamAct Fr= 1--    128.7559                33.8307                36.7433
  Dep-P Fr= 1--      0.6585                 0.6951                 0.3964
  Dep-U Fr= 1--      0.7941                 0.8201                 0.5678
 Alpha2 Fr= 1--      0.2104                 0.0325                 0.2757
 Beta2  Fr= 1--     17.0413                 4.6241                 3.4770
 AlphaG Fr= 1--     -0.1007                 0.0287                -0.1102
 Gamma2 Fr= 1--     -4.2983                 4.7443                 0.0013
 Delta2 Fr= 1--     -3.3981                 5.0825                 1.2135
 Raman1 Fr= 1--     515.024                135.323                146.973
 ROA1   Fr= 1--    -521.375                618.094                 38.955
 CID1   Fr= 1--      -1.012                  4.568                  0.265
 Raman2 Fr= 1--     204.496                 55.489                 41.724
 ROA2   Fr= 1--     -75.974                 73.203                 -9.678
 CID2   Fr= 1--      -0.372                  1.319                 -0.232
 Raman3 Fr= 1--     408.991                110.978                 83.447
 ROA3   Fr= 1--    -521.375                618.094                 38.955
 CID3   Fr= 1--      -1.275                  5.570                  0.467
 RC180  Fr= 1--       0.588                  0.640                  0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.07   0.01
     7   6    -0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
     8   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.15  -0.13   0.01
    12   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.30  -0.10   0.04
    13   1     0.00  -0.01   0.00    -0.00   0.02  -0.00    -0.06   0.32  -0.06
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.16   0.83  -0.16
    15   1     0.00  -0.03   0.04     0.00  -0.06   0.07    -0.00   0.00  -0.00
    16   6    -0.08   0.00  -0.04     0.02   0.08  -0.04    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.18  -0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    21   1    -0.03  -0.23   0.26    -0.02  -0.50   0.61     0.00   0.00  -0.00
    22   1     0.60  -0.26   0.10     0.13  -0.03   0.01     0.00  -0.00   0.00
    23   1     0.38   0.48   0.14    -0.37  -0.43  -0.14     0.00   0.01   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3158.2020              3177.3846              3192.6550
 Red. masses --      1.0880                 1.0905                 1.0966
 Frc consts  --      6.3941                 6.4868                 6.5858
 IR Inten    --      2.6554                17.8085                20.1273
 RamAct Fr= 1--    135.1435                84.4983               291.2870
  Dep-P Fr= 1--      0.4275                 0.7497                 0.1197
  Dep-U Fr= 1--      0.5989                 0.8569                 0.2137
 Alpha2 Fr= 1--      0.9047                 0.0005                 4.8589
 Beta2  Fr= 1--     13.4902                12.0680                10.3770
 AlphaG Fr= 1--      0.2680                -0.0046                 0.3885
 Gamma2 Fr= 1--      0.9050                 0.5159                 1.6899
 Delta2 Fr= 1--     -1.1549                -3.6344                 3.3199
 Raman1 Fr= 1--     540.574                337.993               1165.148
 ROA1   Fr= 1--      49.919                -66.779                268.468
 CID1   Fr= 1--       0.092                 -0.198                  0.230
 Raman2 Fr= 1--     161.883                144.816                124.524
 ROA2   Fr= 1--      30.958                 41.456                 13.999
 CID2   Fr= 1--       0.191                  0.286                  0.112
 Raman3 Fr= 1--     323.766                289.632                249.047
 ROA3   Fr= 1--      49.919                -66.779                268.468
 CID3   Fr= 1--       0.154                 -0.231                  1.078
 RC180  Fr= 1--       0.198                  0.714                 -0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.00     0.04   0.03  -0.00    -0.05  -0.04   0.00
     2   6     0.00  -0.00   0.00    -0.05   0.02  -0.01    -0.06   0.02  -0.01
     3   6     0.01  -0.07   0.01    -0.01   0.03  -0.01     0.01  -0.02   0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.01   0.03  -0.01    -0.00   0.02  -0.00    -0.00   0.02  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.23  -0.20   0.02    -0.48  -0.41   0.04     0.51   0.44  -0.05
    12   1    -0.03   0.01  -0.00     0.61  -0.21   0.08     0.64  -0.22   0.09
    13   1    -0.15   0.83  -0.16     0.06  -0.30   0.06    -0.04   0.18  -0.04
    14   1     0.07  -0.37   0.07     0.04  -0.25   0.05     0.03  -0.17   0.03
    15   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   911.056091791.251472470.69734
           X            0.99949  -0.03176   0.00283
           Y            0.03173   0.99945   0.00976
           Z           -0.00314  -0.00967   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09507     0.04835     0.03506
 Rotational constants (GHZ):           1.98093     1.00753     0.73046
 Zero-point vibrational energy     518297.9 (Joules/Mol)
                                  123.87617 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    132.38   171.56   289.98   334.16   365.31
          (Kelvin)            464.60   514.00   554.85   634.34   678.14
                              755.33   797.15   894.76  1016.37  1057.94
                             1070.62  1109.84  1214.26  1262.88  1279.81
                             1346.04  1354.97  1387.28  1406.40  1473.36
                             1493.24  1530.15  1566.55  1627.99  1646.28
                             1664.84  1706.90  1751.34  1768.14  1804.90
                             1850.87  1884.89  1917.15  1940.05  1956.17
                             1989.61  2018.75  2044.76  2139.14  2143.85
                             2149.27  2164.45  2168.14  2203.18  2339.16
                             2376.39  4235.62  4278.79  4340.26  4363.91
                             4425.20  4440.04  4454.82  4476.21  4537.48
                             4543.95  4571.55  4593.52
 
 Zero-point correction=                           0.197409 (Hartree/Particle)
 Thermal correction to Energy=                    0.206472
 Thermal correction to Enthalpy=                  0.207416
 Thermal correction to Gibbs Free Energy=         0.163476
 Sum of electronic and zero-point Energies=           -463.529675
 Sum of electronic and thermal Energies=              -463.520613
 Sum of electronic and thermal Enthalpies=            -463.519668
 Sum of electronic and thermal Free Energies=         -463.563609
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.563             36.629             92.480
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.779
 Vibrational            127.786             30.667             21.813
 Vibration     1          0.602              1.955              3.617
 Vibration     2          0.609              1.933              3.113
 Vibration     3          0.638              1.838              2.119
 Vibration     4          0.653              1.792              1.861
 Vibration     5          0.665              1.756              1.703
 Vibration     6          0.708              1.630              1.295
 Vibration     7          0.732              1.560              1.134
 Vibration     8          0.754              1.501              1.017
 Vibration     9          0.801              1.381              0.824
 Vibration    10          0.828              1.314              0.734
 Vibration    11          0.880              1.195              0.599
 Vibration    12          0.909              1.131              0.536
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.640235D-75        -75.193660       -173.139801
 Total V=0       0.405704D+16         15.608209         35.939230
 Vib (Bot)       0.125747D-88        -88.900504       -204.700975
 Vib (Bot)    1  0.223392D+01          0.349067          0.803757
 Vib (Bot)    2  0.171415D+01          0.234050          0.538920
 Vib (Bot)    3  0.988725D+00         -0.004924         -0.011339
 Vib (Bot)    4  0.847206D+00         -0.072011         -0.165811
 Vib (Bot)    5  0.767262D+00         -0.115056         -0.264927
 Vib (Bot)    6  0.581121D+00         -0.235733         -0.542796
 Vib (Bot)    7  0.514003D+00         -0.289035         -0.665527
 Vib (Bot)    8  0.466986D+00         -0.330696         -0.761456
 Vib (Bot)    9  0.391819D+00         -0.406914         -0.936954
 Vib (Bot)   10  0.357463D+00         -0.446769         -1.028723
 Vib (Bot)   11  0.306059D+00         -0.514194         -1.183976
 Vib (Bot)   12  0.282145D+00         -0.549528         -1.265334
 Vib (V=0)       0.796830D+02          1.901366          4.378057
 Vib (V=0)    1  0.278919D+01          0.445478          1.025751
 Vib (V=0)    2  0.228559D+01          0.358998          0.826623
 Vib (V=0)    3  0.160796D+01          0.206275          0.474967
 Vib (V=0)    4  0.148375D+01          0.171360          0.394571
 Vib (V=0)    5  0.141580D+01          0.151002          0.347695
 Vib (V=0)    6  0.126662D+01          0.102645          0.236350
 Vib (V=0)    7  0.121708D+01          0.085318          0.196452
 Vib (V=0)    8  0.118416D+01          0.073411          0.169034
 Vib (V=0)    9  0.113523D+01          0.055085          0.126839
 Vib (V=0)   10  0.111464D+01          0.047134          0.108530
 Vib (V=0)   11  0.108624D+01          0.035924          0.082718
 Vib (V=0)   12  0.107411D+01          0.031050          0.071495
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.718797D+06          5.856606         13.485334
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 3322                                                 111111111111111111111111111                                         
   11111000 0099                                                 6655544444333332222111100009999 888 7777   6 5 5 44 33 3 222   1    
   97551987 3174                                                 5230099820864318521854386327643 974 7430   2 5 2 74 85 2 530   19   
   37841666 3744                                                 2617440713308206497674294847426 084 1456   2 4 5 11 67 3 422   92   
 
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              XX                                                                      X                                              
              X                                                                       X                                              
              X                                                                       X                                              
                                                                                      X                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000027    0.000005340    0.000001084
      2        6          -0.000006133   -0.000001630   -0.000002375
      3        6          -0.000000263    0.000000389   -0.000004202
      4        6           0.000009385   -0.000005473   -0.000005547
      5        6          -0.000005412   -0.000005575    0.000004900
      6        6           0.000002905    0.000002589    0.000003920
      7        6           0.000004272    0.000003956    0.000000704
      8        6          -0.000006133   -0.000005180   -0.000003942
      9        8           0.000003643    0.000016484    0.000017231
     10        6          -0.000005676   -0.000002001   -0.000018918
     11        1          -0.000000008   -0.000000250    0.000000693
     12        1           0.000000245    0.000000232    0.000001076
     13        1          -0.000003571    0.000000692    0.000005274
     14        1          -0.000001332    0.000000365   -0.000000670
     15        1           0.000001386   -0.000000610   -0.000001290
     16        6          -0.000001587   -0.000003767   -0.000001664
     17        1          -0.000001926    0.000000802   -0.000001056
     18        1           0.000000337    0.000000429    0.000002044
     19        1           0.000004594   -0.000002118    0.000004192
     20        1           0.000000562   -0.000004645   -0.000002538
     21        1           0.000002824   -0.000000752    0.000002106
     22        1          -0.000000115    0.000001729    0.000000254
     23        1           0.000002031   -0.000001006   -0.000001277
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018918 RMS     0.000004846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149366D+03 -0.248291D+01  0.276215D+01
      2  -0.248291D+01  0.130373D+03 -0.399227D+01
      3   0.276215D+01 -0.399227D+01  0.853784D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.220813D+01 -0.565329D+01 -0.114819D+02
      2   0.763817D+01 -0.126305D+02 -0.696514D+01
      3   0.511232D+01 -0.501485D+02  0.946369D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.143168D+03  0.159508D+02  0.345513D+01
      2  -0.723130D+02  0.402270D+01  0.101431D+02
      3  -0.708551D+02 -0.199735D+02 -0.135983D+02
      4   0.519241D+02  0.658869D+02 -0.287769D+02
      5   0.227892D+01 -0.301979D+02 -0.221670D+02
      6  -0.141979D+02  0.772613D+01  0.151621D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.169282D+01  0.177509D+01 -0.275027D+00  0.454603D+01 -0.108467D+01
      2   0.177509D+01  0.180057D+01 -0.529874D+00 -0.108467D+01  0.240547D+01
      3  -0.275027D+00 -0.529874D+00  0.186125D+01  0.970040D+00  0.850891D+00
                 6             7             8             9            10 
      1   0.970040D+00 -0.150592D+01  0.801970D+00  0.414219D+01  0.483328D+01
      2   0.850891D+00  0.801970D+00  0.744350D+00  0.285843D+01 -0.108857D+01
      3   0.129032D+01  0.414219D+01  0.285843D+01 -0.475829D+00 -0.453981D+00
                11            12            13            14            15 
      1  -0.108857D+01 -0.453981D+00 -0.231133D+01 -0.156214D+01  0.106634D+01
      2   0.251479D+01 -0.159653D+00 -0.156214D+01 -0.259013D+01 -0.674463D+00
      3  -0.159653D+00  0.195726D+01  0.106634D+01 -0.674463D+00 -0.474214D+00
                16            17            18            19            20 
      1   0.156772D+00  0.127286D+01  0.506693D+01  0.591225D+00 -0.509391D+01
      2   0.127286D+01  0.164493D+00 -0.134469D+01 -0.509391D+01  0.101268D+00
      3   0.506693D+01 -0.134469D+01  0.116060D+01  0.189013D+00 -0.152963D+00
                21            22            23            24            25 
      1   0.189013D+00  0.479462D+01 -0.120957D+01 -0.148841D+00 -0.698338D+00
      2  -0.152963D+00 -0.120957D+01  0.177873D+01  0.100390D+01 -0.105237D+01
      3  -0.440439D+00 -0.148841D+00  0.100390D+01  0.149956D+01  0.501590D-01
                26            27            28            29            30 
      1  -0.105237D+01  0.501590D-01 -0.128782D+02  0.619376D+01 -0.229607D+00
      2   0.125882D+01  0.348641D+01  0.619376D+01 -0.618301D+01  0.219712D+00
      3   0.348641D+01 -0.220351D+01 -0.229607D+00  0.219712D+00 -0.153975D+01
                31            32            33            34            35 
      1   0.993793D+01  0.140873D+01 -0.683889D+00 -0.191336D+01 -0.947868D+00
      2   0.140873D+01  0.312799D+01 -0.272304D+00 -0.947868D+00 -0.255646D+00
      3  -0.683889D+00 -0.272304D+00  0.447205D+00 -0.315123D+01  0.175400D+01
                36            37            38            39            40 
      1  -0.315123D+01 -0.165936D+01 -0.493181D+01  0.477308D+00 -0.135613D+02
      2   0.175400D+01 -0.493181D+01 -0.666797D+01  0.334449D+00 -0.264132D+01
      3  -0.927881D+00  0.477308D+00  0.334449D+00 -0.953870D+00 -0.446314D+00
                41            42            43            44            45 
      1  -0.264132D+01 -0.446314D+00  0.308258D+01 -0.180881D+00 -0.205992D+01
      2  -0.646559D+01 -0.248334D+00 -0.180881D+00 -0.412320D+00 -0.266029D+01
      3  -0.248334D+00 -0.830746D+00 -0.205992D+01 -0.266029D+01  0.565290D+00
                46            47            48            49            50 
      1  -0.306192D+01  0.398361D+01 -0.274792D+00 -0.390289D+01  0.387700D+00
      2   0.398361D+01  0.255936D+01  0.400874D+00  0.387700D+00 -0.103472D+01
      3  -0.274792D+00  0.400874D+00 -0.229318D+00  0.535808D-01 -0.865158D+00
                51            52            53            54            55 
      1   0.535808D-01  0.377119D+00  0.551142D+00  0.138159D+01  0.278171D+01
      2  -0.865158D+00  0.551142D+00 -0.144800D+01 -0.346579D+01 -0.123008D+01
      3  -0.150155D+01  0.138159D+01 -0.346579D+01  0.192336D+01 -0.280139D+00
                56            57            58            59            60 
      1  -0.123008D+01 -0.280139D+00 -0.322915D+01  0.484768D+01  0.134987D+01
      2   0.334874D+01  0.164922D+01  0.484768D+01 -0.217367D+01  0.212709D+01
      3   0.164922D+01  0.194640D+01  0.134987D+01  0.212709D+01 -0.406611D+01
                61            62            63            64            65 
      1  -0.227670D+01  0.211760D+01  0.363683D+01  0.684886D+01 -0.248360D+01
      2   0.211760D+01  0.847574D+00 -0.517415D+01 -0.248360D+01 -0.178693D+01
      3   0.363683D+01 -0.517415D+01  0.167058D+01 -0.109693D-01 -0.100073D+01
                66            67            68            69            70 
      1  -0.109693D-01 -0.400119D+01 -0.813395D+00 -0.106156D+01 -0.441311D+00
      2  -0.100073D+01 -0.813395D+00  0.355391D+00 -0.146170D+01 -0.426472D+00
      3  -0.217862D+01 -0.106156D+01 -0.146170D+01  0.156825D+01  0.159277D+00
                71            72            73            74            75 
      1  -0.426472D+00  0.159277D+00 -0.582837D+01 -0.798020D+00  0.105571D+01
      2  -0.101003D+01  0.357457D+01 -0.798020D+00  0.126166D+01  0.912057D+00
      3   0.357457D+01  0.653239D+01  0.105571D+01  0.912057D+00  0.207295D+00
                76            77            78            79            80 
      1   0.590414D+00 -0.181386D+01  0.567056D+00  0.118937D+01 -0.808185D-01
      2  -0.181386D+01 -0.313830D+01  0.117281D+01 -0.808185D-01  0.127793D+01
      3   0.567056D+00  0.117281D+01  0.178411D+00 -0.134551D+01 -0.200889D+01
                81            82            83            84            85 
      1  -0.134551D+01  0.312494D+01  0.542350D+00  0.417978D-01  0.231866D+01
      2  -0.200889D+01  0.542350D+00 -0.696957D+00 -0.299085D+00  0.447580D+01
      3   0.246348D+00  0.417978D-01 -0.299085D+00 -0.600844D+00  0.518233D+00
                86            87            88            89            90 
      1   0.447580D+01  0.518233D+00  0.666374D+00  0.111343D+01  0.136426D+01
      2   0.963424D+01  0.691457D+00  0.111343D+01  0.238388D+01  0.671085D+01
      3   0.691457D+00  0.377494D+01  0.136426D+01  0.671085D+01  0.758250D+00
                91            92            93            94            95 
      1   0.805406D+01  0.455125D+01 -0.391928D+00  0.461439D+01  0.428128D+01
      2   0.455125D+01  0.319429D+01 -0.231747D+00  0.428128D+01  0.452626D+01
      3  -0.391928D+00 -0.231747D+00  0.686538D+00 -0.555280D+00 -0.454299D+00
                96            97            98            99           100 
      1  -0.555280D+00 -0.373229D+00 -0.431307D+00  0.105275D+00  0.125589D+02
      2  -0.454299D+00 -0.431307D+00 -0.672352D+00  0.139471D+00 -0.302040D+01
      3   0.621215D+00  0.105275D+00  0.139471D+00 -0.141038D+00  0.127941D+01
               101           102           103           104           105 
      1  -0.302040D+01  0.127941D+01 -0.308361D+01  0.241361D+01 -0.606338D+00
      2   0.144385D+01 -0.314924D+00  0.241361D+01 -0.142105D+01  0.316264D+00
      3  -0.314924D+00  0.972002D+00 -0.606338D+00  0.316264D+00 -0.377486D+00
               106           107           108           109           110 
      1   0.158038D+01 -0.590211D+00  0.248585D+00 -0.493263D+00  0.132460D+01
      2  -0.590211D+00  0.419945D+00 -0.145602D+00  0.132460D+01 -0.960764D+00
      3   0.248585D+00 -0.145602D+00  0.209319D+00 -0.219287D+00  0.275000D+00
               111           112           113           114           115 
      1  -0.219287D+00  0.113402D+01 -0.479158D+00  0.354148D-01 -0.197402D+00
      2   0.275000D+00 -0.479158D+00  0.975301D+01 -0.175381D+01  0.268078D+00
      3  -0.102159D+00  0.354148D-01 -0.175381D+01  0.113909D+01  0.700233D-01
               116           117           118           119           120 
      1   0.268078D+00  0.700233D-01  0.112697D+01 -0.175320D+01  0.378989D+00
      2  -0.193349D+01  0.473459D+00 -0.175320D+01  0.174783D+01 -0.357350D+00
      3   0.473459D+00 -0.294513D+00  0.378989D+00 -0.357350D+00  0.323628D+00
               121           122           123           124           125 
      1  -0.178383D+01  0.253273D+01 -0.486306D+00  0.213915D+00 -0.548373D+00
      2   0.253273D+01 -0.101247D+02  0.175580D+01 -0.548373D+00  0.192616D+01
      3  -0.486306D+00  0.175580D+01 -0.114301D+01  0.231738D+00 -0.523336D+00
               126           127           128           129           130 
      1   0.231738D+00 -0.375762D+00  0.988898D+00 -0.114560D+01  0.256500D+01
      2  -0.523336D+00  0.988898D+00 -0.607922D+00  0.104997D+00 -0.210760D+01
      3   0.295508D+00 -0.114560D+01  0.104997D+00 -0.686645D+00  0.528515D+00
               131           132           133           134           135 
      1  -0.210760D+01  0.528515D+00 -0.186331D+01  0.929408D+00 -0.168132D+01
      2   0.459279D+01 -0.256522D+01  0.929408D+00 -0.298381D+01  0.342519D+01
      3  -0.256522D+01  0.295739D+01 -0.168132D+01  0.342519D+01 -0.533474D+01
               136           137           138           139           140 
      1   0.627149D+01 -0.523465D+01  0.369731D-01 -0.247378D+01 -0.198123D+01
      2  -0.523465D+01 -0.856325D+00 -0.215224D+01 -0.198123D+01 -0.104286D+01
      3   0.369731D-01 -0.215224D+01 -0.132991D+01 -0.235409D+01 -0.127866D+01
               141           142           143           144           145 
      1  -0.235409D+01  0.481793D+01 -0.409772D+01 -0.223699D+01 -0.564983D+00
      2  -0.127866D+01 -0.409772D+01  0.674792D+00  0.376168D+01 -0.911351D-01
      3   0.342942D+01 -0.223699D+01  0.376168D+01 -0.990106D+00 -0.998466D+00
               146           147           148           149           150 
      1  -0.911351D-01 -0.998466D+00 -0.119206D+00 -0.193450D+00 -0.356355D+00
      2   0.563262D+00  0.295009D+00 -0.193450D+00 -0.147351D+01 -0.167783D+01
      3   0.295009D+00  0.119284D+01 -0.356355D+00 -0.167783D+01 -0.234200D+01
               151           152           153           154           155 
      1  -0.140684D+01 -0.261979D+00 -0.174316D+01 -0.121511D+02  0.143847D+01
      2  -0.261979D+00 -0.168061D+01 -0.195584D+01  0.143847D+01 -0.120264D+01
      3  -0.174316D+01 -0.195584D+01 -0.906394D+01 -0.112782D+01  0.123231D+00
               156           157           158           159           160 
      1  -0.112782D+01  0.249085D+01 -0.150176D+01  0.376765D+00  0.343649D+00
      2   0.123231D+00 -0.150176D+01  0.878768D+00  0.583917D-02  0.581664D-01
      3  -0.109458D+01  0.376765D+00  0.583917D-02  0.721295D-01 -0.132803D+01
               161           162           163           164           165 
      1   0.581664D-01 -0.132803D+01 -0.765068D+00 -0.113678D+01 -0.976842D+00
      2   0.260481D+00 -0.419808D-01 -0.113678D+01  0.249827D+00 -0.678627D-01
      3  -0.419808D-01 -0.605782D+00 -0.976842D+00 -0.678627D-01 -0.291672D+00
               166           167           168           169           170 
      1  -0.178970D+01 -0.190961D+01 -0.486046D+00 -0.277955D+01 -0.140461D+01
      2  -0.190961D+01 -0.787959D+01 -0.293562D+01 -0.140461D+01 -0.601025D+01
      3  -0.486046D+00 -0.293562D+01 -0.217094D+01 -0.948773D+00 -0.466872D+01
               171           172           173           174           175 
      1  -0.948773D+00 -0.234787D-02 -0.480191D+00  0.850305D+00 -0.142763D+01
      2  -0.466872D+01 -0.480191D+00  0.699320D+00 -0.302801D+00 -0.151267D+01
      3  -0.421212D+01  0.850305D+00 -0.302801D+00  0.162574D+00  0.279194D+00
               176           177           178           179           180 
      1  -0.151267D+01  0.279194D+00  0.169057D+01  0.812824D+00 -0.678109D+00
      2  -0.655159D+01  0.284353D+01  0.812824D+00  0.440805D+01 -0.419437D+01
      3   0.284353D+01 -0.248391D+01 -0.678109D+00 -0.419437D+01  0.407681D+01
               181           182           183           184           185 
      1  -0.871609D+00  0.194628D-01  0.805337D+00 -0.904825D+00  0.172774D+00
      2   0.194628D-01  0.938745D-01  0.307329D+00  0.172774D+00 -0.165572D+01
      3   0.805337D+00  0.307329D+00 -0.508605D-01  0.898129D+00  0.103463D+01
               186           187           188           189           190 
      1   0.898129D+00  0.101656D+01  0.396533D+00 -0.100811D+01 -0.107373D+02
      2   0.103463D+01  0.396533D+00  0.145769D+01 -0.124386D+01  0.492248D+01
      3  -0.308448D+01 -0.100811D+01 -0.124386D+01  0.553472D+01  0.828346D+00
               191           192           193           194           195 
      1   0.492248D+01  0.828346D+00  0.382218D+01 -0.282815D+01 -0.512233D-01
      2  -0.326153D+01 -0.461683D+00 -0.282815D+01  0.297176D+01  0.400644D+00
      3  -0.461683D+00 -0.128451D+01 -0.512233D-01  0.400644D+00  0.268965D+00
               196           197           198           199           200 
      1  -0.167222D+01  0.984487D+00 -0.907305D+00  0.150504D+01  0.160238D+01
      2   0.984487D+00 -0.804134D+00  0.190079D+00  0.160238D+01  0.264540D+01
      3  -0.907305D+00  0.190079D+00 -0.150402D+00  0.441272D+00  0.140904D+01
               201           202           203           204           205 
      1   0.441272D+00  0.177433D+01  0.111828D+01  0.593109D+00 -0.705417D-02
      2   0.140904D+01  0.111828D+01  0.552698D+01  0.198454D+01  0.716122D+00
      3   0.147337D+01  0.593109D+00  0.198454D+01  0.122753D+01  0.631596D+00
               206           207 
      1   0.716122D+00  0.631596D+00
      2   0.138645D+01  0.105337D+01
      3   0.105337D+01  0.142669D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.683041D+00 -0.833504D+00 -0.263388D+01 -0.178326D+01  0.101234D+01
      2  -0.137333D+01 -0.662781D+00  0.469222D+01  0.276594D+01  0.213940D+01
      3  -0.446076D+01 -0.127879D+02  0.135965D+01  0.744331D+01 -0.162039D+00
                 6             7             8             9            10 
      1  -0.316657D+00 -0.804608D+01  0.615524D+01 -0.235831D+01 -0.443875D+00
      2   0.429272D+01  0.143715D+01  0.111043D+02 -0.198510D+01  0.582722D+00
      3  -0.181777D+01 -0.128613D+01 -0.316852D+01 -0.425620D+01  0.407029D+01
                11            12            13            14            15 
      1  -0.427423D+00  0.126247D+01 -0.177201D+00  0.193522D+01  0.745993D+00
      2  -0.280545D+00  0.587670D+01  0.367259D+01 -0.989854D+00 -0.205513D+01
      3  -0.103479D+02  0.685017D+00  0.116488D+02 -0.595003D+00  0.244522D+01
                16            17            18            19            20 
      1   0.507896D+01  0.110528D+02 -0.137031D+01  0.571069D+00  0.934042D+00
      2   0.837901D+01 -0.633235D+01  0.317704D+01  0.283548D+01 -0.337966D+01
      3  -0.328533D+01  0.193316D+01  0.187013D+01  0.498104D+01 -0.639142D+01
                21            22            23            24            25 
      1   0.183178D+01  0.151892D+00 -0.483590D+00 -0.271724D+01  0.266681D+01
      2  -0.836048D+00 -0.199625D+01 -0.239198D+00  0.286594D+01 -0.142655D+02
      3   0.247458D+01  0.440528D+01 -0.850274D+01 -0.457887D+00  0.287599D+01
                26            27            28            29            30 
      1   0.455608D+00  0.143952D+01 -0.757690D+00 -0.506902D+00  0.122359D+01
      2   0.534941D+01 -0.401149D+01 -0.127919D+01  0.260295D+01 -0.223907D+01
      3  -0.243150D+01 -0.784837D+01 -0.925621D+00  0.121166D+02 -0.100666D+01
                31            32            33            34            35 
      1  -0.643262D+00  0.219289D+01 -0.480045D+00  0.256360D+01  0.926275D+01
      2   0.245470D+01 -0.125145D+01 -0.653079D-01 -0.149464D+02  0.162886D+01
      3   0.132742D+02 -0.126477D+02 -0.204263D+01  0.158161D+01  0.347248D+01
                36            37            38            39            40 
      1  -0.821279D+00  0.142122D+01 -0.576458D+00 -0.251588D+00 -0.183903D+01
      2  -0.821447D+00  0.965668D+00  0.733888D+00 -0.137283D+01 -0.280519D+01
      3  -0.224308D+01 -0.689326D+01  0.711636D+01 -0.292804D+01  0.118343D+02
                41            42            43            44            45 
      1  -0.199608D+00 -0.861729D+00 -0.395085D+01  0.820635D+01 -0.499842D+00
      2   0.376987D+01 -0.523417D+00 -0.140981D+02 -0.603743D+00 -0.910771D+00
      3   0.191854D+02  0.109246D+01 -0.808105D-01 -0.296213D+01  0.370778D+01
                46            47            48            49            50 
      1  -0.117918D+00  0.837629D+00 -0.959436D+00  0.140662D+01 -0.478918D+00
      2  -0.737890D+00 -0.157260D+01  0.489319D-01 -0.242266D+01 -0.203972D+01
      3  -0.633046D+00 -0.127865D+02  0.180464D+01 -0.108159D+00  0.539994D+01
                51            52            53            54            55 
      1  -0.213459D+01  0.190017D+01  0.926107D+00  0.120311D+00  0.818832D+00
      2  -0.383646D+01 -0.107210D+02 -0.949256D+01  0.331507D+01 -0.410529D+00
      3   0.988661D+00  0.186258D+01  0.152496D+01  0.745418D+01  0.374698D+01
                56            57            58            59            60 
      1  -0.322053D+01 -0.308046D+01 -0.167934D+01 -0.396608D+01  0.133876D+01
      2  -0.164059D+01  0.108566D+01 -0.388921D+01  0.333528D+00  0.676864D+01
      3  -0.205305D+01  0.212105D+01  0.125880D+02  0.638590D+01  0.707397D+01
                61            62            63            64            65 
      1  -0.754499D+01  0.989706D+01 -0.353780D+00  0.294299D+01  0.186259D+01
      2  -0.120948D+02  0.102338D+02 -0.322410D+00  0.883557D+01 -0.199359D+01
      3   0.867346D-02  0.730978D+01 -0.532428D+01 -0.114166D+02 -0.755325D+01
                66            67            68            69            70 
      1   0.160857D+01 -0.832747D+00  0.275113D+01  0.166591D+01  0.256051D+01
      2   0.664952D+01 -0.230406D+01  0.193741D+01 -0.610030D+01 -0.284614D+01
      3  -0.335976D+01 -0.581579D+01  0.281214D+01 -0.519974D+01  0.781999D+00
                71            72            73            74            75 
      1   0.141967D+01 -0.233102D+01  0.529017D+00  0.945965D+00  0.630229D+00
      2  -0.107839D+02 -0.166775D+02  0.164192D+01 -0.106613D+01  0.602202D+01
      3  -0.331245D+01  0.792746D+01  0.136388D+02 -0.622154D+01  0.100389D+01
                76            77            78            79            80 
      1  -0.872339D+00  0.181381D+01 -0.781516D+01 -0.478880D+01  0.186636D+01
      2   0.118227D+00 -0.412103D+01 -0.500127D+00 -0.321824D+01  0.555943D+01
      3   0.409176D+01 -0.553378D+01  0.533227D+01 -0.221074D+01  0.800540D+01
                81            82            83            84            85 
      1   0.404869D+01  0.141068D+00  0.492008D+00 -0.385244D+01  0.167892D+01
      2  -0.151402D+01 -0.269112D+01  0.509757D+00 -0.202153D+01  0.415691D+00
      3  -0.243492D+01 -0.594600D+01 -0.775784D+00 -0.114564D+01  0.713481D+01
                86            87            88            89            90 
      1   0.209387D+01  0.985833D+01  0.733477D+01  0.233247D+02  0.162241D+01
      2  -0.432048D+00 -0.526736D+00 -0.619779D+01 -0.523254D+01 -0.118972D+00
      3  -0.702506D+01 -0.987858D+00 -0.355792D+01 -0.320036D+01  0.333377D+01
                91            92            93            94            95 
      1  -0.207521D+00 -0.404231D+00 -0.228277D+01  0.288364D+00 -0.120056D+00
      2   0.408411D+00  0.266324D+00  0.401564D+01 -0.923070D+00 -0.759326D+00
      3  -0.277012D+01 -0.610084D+01  0.987396D-01 -0.551872D+01 -0.941798D+01
                96            97            98            99           100 
      1  -0.232033D+01  0.112391D+01  0.912909D+00  0.195635D+00  0.240639D+00
      2   0.325813D+01 -0.141414D+01 -0.786751D+00 -0.251510D+00  0.194485D+01
      3   0.678397D+00  0.763794D+00  0.122751D+01 -0.130312D+00  0.266003D+01
               101           102           103           104           105 
      1   0.396934D+00  0.142070D+01 -0.704953D-01 -0.158301D+00 -0.807008D+00
      2  -0.495665D+00  0.599370D+01 -0.170499D+01  0.813142D+00 -0.212052D+01
      3  -0.585521D+01  0.303423D+00 -0.520557D+01  0.390284D+01 -0.694890D+00
               106           107           108           109           110 
      1  -0.717470D+00  0.410253D+00  0.213589D+00 -0.326920D+00  0.128303D+00
      2  -0.198082D+01  0.453661D+00  0.619121D+00 -0.751392D+00  0.687628D+00
      3   0.963384D+00 -0.117522D+01  0.290721D+00 -0.451995D+01  0.376078D+01
               111           112           113           114           115 
      1   0.656696D+00  0.415922D+00 -0.927528D+00 -0.452209D+01 -0.298573D+00
      2  -0.882468D-01  0.102839D+01 -0.256094D+01  0.108857D+01 -0.125954D+01
      3  -0.642451D+00  0.613091D+01 -0.155556D+02  0.282642D+01 -0.134031D+01
               116           117           118           119           120 
      1   0.208557D+01  0.617979D+00  0.249549D-01 -0.201310D+00  0.993958D+00
      2   0.374665D+00 -0.761989D-01  0.483975D+00 -0.272074D+00  0.796275D+00
      3   0.332417D+01 -0.190036D+00  0.183698D+01 -0.716814D+00  0.158321D+00
               121           122           123           124           125 
      1  -0.304995D+00 -0.250526D+00 -0.457731D+01 -0.707898D-01  0.169260D+01
      2  -0.104290D+00  0.331372D+01 -0.271430D+01 -0.102328D+01 -0.361026D-01
      3   0.123275D+01  0.170924D+02 -0.289667D+01 -0.156537D+00 -0.339349D+01
               126           127           128           129           130 
      1   0.679461D+00  0.953512D+00  0.385146D+00  0.925487D+00 -0.297430D+00
      2   0.436986D+00  0.155166D+01  0.279605D-01  0.114924D+01  0.886929D+00
      3   0.449879D-01  0.233728D+01 -0.204336D+01 -0.131548D+01  0.189846D+01
               131           132           133           134           135 
      1   0.299229D-01 -0.411851D+01  0.236658D+01 -0.343537D+00  0.513970D+01
      2   0.267820D+01 -0.438904D+01 -0.491521D+00 -0.451442D+01  0.679795D+01
      3   0.537539D+01 -0.409325D+01 -0.207504D+01 -0.532720D+01  0.463723D+01
               136           137           138           139           140 
      1  -0.637872D+01  0.243502D+01  0.618154D+00  0.559895D+01 -0.491117D+00
      2  -0.704083D+01  0.112131D+02  0.567704D+01  0.105567D+02  0.292369D+01
      3   0.222844D+01 -0.171899D+02 -0.485481D+01 -0.981362D+01 -0.773510D+01
               141           142           143           144           145 
      1  -0.130813D+02  0.963061D+00 -0.786531D+01  0.548355D+01  0.663115D-01
      2  -0.449840D+01  0.281546D+01 -0.547071D+01  0.308258D+01  0.247653D+01
      3  -0.884488D+01 -0.211221D+01 -0.971633D+01  0.439541D+01  0.733889D+00
               146           147           148           149           150 
      1  -0.170517D+01  0.166056D+00 -0.282011D+00  0.258447D+01  0.277990D+00
      2  -0.365203D+00 -0.303311D+01 -0.641055D+00  0.369496D+01  0.489796D+01
      3   0.184520D+01  0.518621D+00  0.283809D+01 -0.383473D+01 -0.356799D+01
               151           152           153           154           155 
      1  -0.358648D-01  0.527851D+01  0.653082D+00 -0.114842D+01  0.146446D+01
      2  -0.114737D+01  0.445159D+01  0.201643D+02 -0.789277D+01  0.910447D+00
      3   0.527123D+00 -0.506001D+01 -0.298535D+01  0.468690D+01 -0.727913D+01
               156           157           158           159           160 
      1   0.210056D+00  0.127896D+01 -0.114771D+01 -0.877928D+00 -0.409811D+00
      2   0.500109D+01  0.135270D+01 -0.109215D+01 -0.499699D+00  0.262071D+01
      3   0.473477D+00 -0.299841D+01  0.353873D+01  0.533915D+00  0.623167D+00
               161           162           163           164           165 
      1   0.433582D+00  0.433910D+00 -0.280329D+01  0.113862D+00 -0.526681D+00
      2   0.344138D+00  0.363664D+00 -0.426981D+00 -0.360041D+00  0.144053D+01
      3   0.139547D+01 -0.163665D+00  0.219436D+01  0.164776D+01  0.310054D+01
               166           167           168           169           170 
      1  -0.185916D+01 -0.591386D+01 -0.755138D+01 -0.306386D+01 -0.986479D+01
      2  -0.407372D-01  0.122437D+01  0.121155D+01 -0.216115D+00  0.249251D+01
      3   0.383295D+01 -0.236032D+01 -0.134772D+01  0.787112D+01 -0.579907D+00
               171           172           173           174           175 
      1  -0.111239D+02  0.178912D+01 -0.231477D+00  0.578078D+00  0.119095D+01
      2   0.165328D+01 -0.737026D-02  0.342713D+00  0.431782D+00  0.538583D+00
      3  -0.209504D+01 -0.638666D+00 -0.128341D+01 -0.223334D+01  0.298608D+01
               176           177           178           179           180 
      1   0.510313D+01 -0.713603D+01 -0.218313D+01 -0.807304D+01  0.993702D+01
      2  -0.237034D+01  0.189415D+01 -0.125660D+01  0.276775D+01 -0.292250D+01
      3  -0.202980D+01  0.242197D+01 -0.467642D+01  0.283776D+01 -0.306191D+01
               181           182           183           184           185 
      1  -0.150525D+01 -0.267228D+00  0.706742D+00 -0.129167D+01 -0.688842D+01
      2  -0.701853D+00 -0.514565D+00  0.340658D-01  0.220714D-01 -0.231760D+01
      3  -0.134154D+01 -0.293699D+00  0.178683D+01 -0.153372D+00 -0.435542D+01
               186           187           188           189           190 
      1   0.634289D+01  0.205304D+01  0.695707D+01 -0.120032D+02  0.203179D+01
      2   0.554286D+01 -0.165581D+01  0.267374D+01 -0.981511D+01  0.723881D+01
      3   0.370493D+01  0.240435D+01  0.431643D+01 -0.478435D+01 -0.126702D+02
               191           192           193           194           195 
      1  -0.207242D+01  0.354767D+01 -0.198523D+01  0.169405D+01 -0.119433D+01
      2  -0.278825D+01  0.518684D+01 -0.312011D+01  0.101478D+01 -0.154814D+01
      3  -0.216750D-01  0.296910D+00  0.353468D+01  0.151584D+01  0.821300D+00
               196           197           198           199           200 
      1   0.199702D+01  0.314892D+00  0.489431D+00  0.147603D+01  0.450698D+00
      2   0.128334D+01 -0.415773D+00  0.124306D+01 -0.427200D+01 -0.389887D+01
      3  -0.974969D+00  0.485315D+00 -0.181243D+01  0.103411D+02  0.803046D+01
               201           202           203           204           205 
      1  -0.279298D+01  0.527241D+00  0.181066D+01 -0.240645D+01 -0.738451D+00
      2  -0.182220D+01 -0.386092D+01 -0.566943D+01 -0.244295D+01 -0.238443D+01
      3   0.329377D+01  0.942121D+01  0.133059D+02  0.541134D+01  0.149263D+01
               206           207 
      1   0.678818D+00 -0.220594D+01
      2  -0.252413D+01 -0.280562D+01
      3   0.449469D+01  0.366828D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.653508D+00 -0.177486D+02  0.293143D+01  0.290643D+02 -0.167788D+01
      2  -0.361713D+01  0.123332D+02  0.439708D+00 -0.270359D+02 -0.273009D+01
      3   0.427063D+01  0.541538D+01 -0.337114D+01 -0.202838D+01  0.440797D+01
      4  -0.197702D+02  0.135274D+02 -0.381701D+01 -0.327626D+01 -0.184328D+02
      5  -0.139086D+01 -0.224572D+01  0.977954D+01  0.757976D+01  0.592969D+01
      6  -0.201773D+01 -0.197737D+01  0.631127D+01  0.619091D+01  0.248330D+01
                 6             7             8             9            10 
      1   0.236586D+01 -0.844240D+01 -0.145972D+01  0.111404D+02 -0.720193D+01
      2  -0.287375D+01  0.978652D+01  0.338491D+01 -0.138675D+02  0.419249D+01
      3   0.507888D+00 -0.134411D+01 -0.192519D+01  0.272710D+01  0.300944D+01
      4   0.884407D+01  0.283972D+01  0.959706D+01  0.147093D+02  0.118648D+02
      5   0.933312D+01  0.289230D+02  0.165540D+02 -0.515742D+01 -0.649571D+01
      6   0.157842D+01  0.928763D+01  0.950547D+01  0.302893D+01 -0.710559D+00
                11            12            13            14            15 
      1   0.723265D+01 -0.617665D+01 -0.195198D+02 -0.202268D+02  0.589709D+01
      2  -0.416657D+01  0.282103D+01  0.171980D+02  0.184729D+02 -0.647459D+01
      3  -0.306608D+01  0.335562D+01  0.232181D+01  0.175398D+01  0.577500D+00
      4   0.220480D+02 -0.919095D-01 -0.181694D+02  0.147367D+02 -0.712280D+01
      5   0.848073D+00  0.128959D+02  0.100243D+02 -0.372194D+01 -0.467783D+01
      6   0.390850D+00 -0.322858D+01 -0.506413D+01 -0.178132D+01 -0.158953D+01
                16            17            18            19            20 
      1  -0.326774D+01  0.796900D+01  0.168753D+02  0.988573D+01 -0.381665D+01
      2  -0.202327D+01 -0.523595D+01 -0.197782D+02 -0.715011D+01 -0.249536D+00
      3   0.529101D+01 -0.273306D+01  0.290289D+01 -0.273562D+01  0.406618D+01
      4   0.120267D+02 -0.487943D+01 -0.535722D+01  0.750634D+01 -0.246571D+02
      5   0.361760D+02 -0.853096D+01  0.644686D+01  0.300563D+01  0.180094D+01
      6  -0.400622D+01  0.450042D+01  0.197452D+01  0.174684D+01 -0.331817D+00
                21            22            23            24            25 
      1   0.838431D+00  0.780820D+01  0.109230D+02 -0.529850D+01  0.156465D+01
      2  -0.131220D+01 -0.409270D+00 -0.171282D+02  0.722721D+01 -0.232494D+01
      3   0.473774D+00 -0.739893D+01  0.620525D+01 -0.192871D+01  0.760287D+00
      4   0.333629D+01  0.187325D+02  0.857292D+01  0.586943D+00 -0.124777D+01
      5  -0.353921D+01 -0.112807D+01  0.156451D+00  0.376579D+01  0.255435D+01
      6  -0.303591D+01 -0.211745D+01  0.109745D+02  0.468130D+01  0.120267D+01
                26            27            28            29            30 
      1  -0.452083D+01 -0.138458D+02 -0.343722D+02  0.145313D+02 -0.135673D+01
      2   0.107410D+02  0.150452D+01  0.203381D+02 -0.807871D+01 -0.119241D+00
      3  -0.622019D+01  0.123413D+02  0.140341D+02 -0.645261D+01  0.147597D+01
      4  -0.248184D+01  0.116430D+02 -0.127533D+02  0.109146D+02 -0.178818D+00
      5   0.107437D+02 -0.798668D+01 -0.338361D+01  0.132914D+01 -0.196280D+01
      6   0.148443D+02 -0.587119D+01  0.277815D+01 -0.339007D+00 -0.214962D+01
                31            32            33            34            35 
      1   0.159596D+02 -0.552994D+00  0.678042D+00 -0.788386D+01  0.208354D+01
      2  -0.707247D+01  0.364549D+01 -0.293190D+01 -0.248300D+00 -0.144563D+01
      3  -0.888718D+01 -0.309250D+01  0.225386D+01  0.813216D+01 -0.637914D+00
      4  -0.288756D+01  0.454186D+01 -0.108675D+01  0.439486D+01 -0.263913D+01
      5   0.201688D+01 -0.725100D+00 -0.861164D+00  0.123681D+01  0.135977D+00
      6  -0.636850D+01 -0.265444D+01  0.230465D+01 -0.126789D+01  0.742227D+01
                36            37            38            39            40 
      1  -0.120758D+02 -0.171307D+02 -0.285038D+02  0.211825D+01 -0.194303D+02
      2  -0.263390D+00  0.151331D+02  0.221044D+02  0.563019D+00  0.806126D+01
      3   0.123392D+02  0.199763D+01  0.639938D+01 -0.268127D+01  0.113691D+02
      4  -0.285164D+01 -0.365774D+01  0.913024D+00 -0.731369D+00 -0.126024D+01
      5  -0.130781D+01  0.274079D+01  0.143990D+01 -0.845439D+00  0.610681D+00
      6   0.161953D+01 -0.237633D+01 -0.438228D-01  0.530300D+00  0.836449D+01
                41            42            43            44            45 
      1  -0.134455D+02  0.651367D-01  0.250702D+01 -0.118683D+01 -0.142251D+02
      2   0.143323D+02 -0.897368D+00  0.210175D+01  0.119311D+01  0.338179D+01
      3  -0.886774D+00  0.832231D+00 -0.460878D+01 -0.627698D-02  0.108433D+02
      4  -0.495482D+01  0.284996D+01  0.894013D+00  0.240031D+01 -0.139264D+01
      5   0.324313D+01  0.183654D+00  0.213379D+01 -0.264221D+01 -0.103533D+00
      6  -0.300132D+00  0.151100D+01 -0.875652D+00  0.987498D+01  0.113779D+01
                46            47            48            49            50 
      1   0.113770D+02  0.187547D+02 -0.142922D+00 -0.208272D+02  0.148546D+02
      2  -0.125180D+02 -0.130202D+02  0.682033D-01  0.167350D+02 -0.214922D+02
      3   0.114102D+01 -0.573441D+01  0.747190D-01  0.409224D+01  0.663763D+01
      4   0.458143D+01 -0.183872D+02  0.472439D+01  0.117116D+02 -0.615417D+00
      5  -0.314687D+01  0.256925D+01 -0.236257D+01 -0.740266D+00 -0.424830D+01
      6   0.485964D+01 -0.196439D+01  0.114937D+01 -0.250900D+01  0.102721D+02
                51            52            53            54            55 
      1  -0.453113D+01  0.320513D+01 -0.261964D+01 -0.638171D+01  0.230915D+02
      2   0.668748D+01 -0.457139D+01  0.958300D+01 -0.272723D+01 -0.114656D+02
      3  -0.215635D+01  0.136627D+01 -0.696336D+01  0.910894D+01 -0.116259D+02
      4  -0.415879D+01  0.111315D+01 -0.813060D+01 -0.155217D+02 -0.202476D+01
      5  -0.710852D+01  0.771765D+01 -0.158428D+02  0.645760D+01  0.201006D+01
      6   0.417073D+01 -0.529290D+01  0.137447D+02 -0.272375D+01 -0.348204D+01
                56            57            58            59            60 
      1  -0.145065D+02 -0.427827D+01 -0.199617D+02  0.525921D+01 -0.921875D+01
      2   0.110231D+02  0.443769D+01  0.129051D+02  0.906442D+00  0.705689D+01
      3   0.348342D+01 -0.159422D+00  0.705655D+01 -0.616565D+01  0.216186D+01
      4  -0.770721D+01 -0.428078D+01 -0.147110D+02  0.909282D+01 -0.545045D+01
      5  -0.615587D+01 -0.666138D+01 -0.806269D+01 -0.694412D+01  0.139730D+02
      6   0.413916D+01  0.452828D+01  0.794342D+00  0.833262D+01 -0.168923D+02
                61            62            63            64            65 
      1  -0.139182D+01 -0.789755D+01  0.115878D+02 -0.484068D+02  0.143135D+02
      2   0.502766D+01  0.117594D+01 -0.102150D+02  0.247304D+02 -0.950274D+01
      3  -0.363584D+01  0.672162D+01 -0.137285D+01  0.236763D+02 -0.481076D+01
      4  -0.123149D+02  0.186674D+01  0.205012D+02  0.156680D+02  0.348078D+01
      5  -0.159541D+02  0.193928D+02 -0.324881D+01 -0.748244D+01  0.611671D+01
      6   0.168565D+02 -0.234301D+02  0.106481D+02  0.246063D+01  0.136878D+01
                66            67            68            69            70 
      1  -0.480564D+01  0.196216D+02  0.797706D+01  0.883701D+01  0.200179D+01
      2  -0.193228D+01 -0.121319D+02 -0.114944D+02 -0.555729D+00  0.130710D+01
      3   0.673792D+01 -0.748967D+01  0.351737D+01 -0.828128D+01 -0.330889D+01
      4   0.404985D+01 -0.208834D+01 -0.211622D+00  0.647479D+01  0.636224D+01
      5   0.707537D+01  0.105624D+02  0.788062D+01 -0.427417D+01 -0.267555D+01
      6   0.609251D+00  0.244596D+01 -0.105696D+01 -0.447748D+01 -0.275762D+01
                71            72            73            74            75 
      1   0.301688D+01  0.139808D+02  0.303814D+02  0.979627D+01  0.327647D+00
      2   0.919566D+01  0.153778D+02 -0.165319D+02 -0.731229D+01 -0.139504D+01
      3  -0.122125D+02 -0.293586D+02 -0.138495D+02 -0.248398D+01  0.106739D+01
      4   0.782008D+00 -0.135860D+02  0.134156D+02  0.116148D+02 -0.500244D+01
      5  -0.131190D+02 -0.260100D+02 -0.547141D+01 -0.311934D+01  0.949797D+01
      6  -0.130809D+01 -0.110766D+02 -0.836288D+00 -0.711812D+01 -0.408272D+01
                76            77            78            79            80 
      1  -0.798530D+01 -0.677927D+01  0.541197D+00 -0.731099D+01 -0.719690D+00
      2   0.948314D+01  0.152208D+02  0.193037D+01  0.501497D+01 -0.334704D+01
      3  -0.149784D+01 -0.844157D+01 -0.247156D+01  0.229603D+01  0.406673D+01
      4   0.130866D+02  0.104424D+02 -0.626641D+01 -0.637370D+01 -0.620685D+01
      5  -0.488300D+01 -0.570348D+01 -0.308250D+01  0.109387D+02  0.748607D+01
      6  -0.412197D+00 -0.228180D+01  0.106150D+02  0.403325D+01  0.100888D+02
                81            82            83            84            85 
      1  -0.658865D+01 -0.113026D+02 -0.389130D+01 -0.553440D+00  0.225786D+02
      2  -0.440663D+01  0.807689D+01  0.633984D+01  0.223417D+01 -0.199311D+02
      3   0.109953D+02  0.322572D+01 -0.244855D+01 -0.168073D+01 -0.264751D+01
      4   0.919550D+01  0.427986D-01 -0.348066D+01  0.212972D+01 -0.149409D+01
      5  -0.312353D+01 -0.165292D+01  0.103869D+01 -0.689578D+01 -0.253625D+01
      6  -0.277807D+01 -0.106221D+01  0.121533D+01  0.869417D+01 -0.382492D+01
                86            87            88            89            90 
      1   0.434901D+02  0.144311D+01  0.602636D+01  0.689505D+01  0.315765D+02
      2  -0.408646D+02 -0.230818D+01 -0.605383D+01 -0.997297D+01 -0.300071D+02
      3  -0.262552D+01  0.865067D+00  0.274725D-01  0.307792D+01 -0.156937D+01
      4  -0.676295D+01 -0.263794D+01 -0.317328D+01 -0.463189D+01 -0.829514D+01
      5  -0.353624D+01 -0.396711D+01 -0.331434D+01 -0.100714D+02 -0.180811D+01
      6  -0.448440D+01 -0.274025D+02 -0.847254D+01 -0.447996D+02 -0.364939D+01
                91            92            93            94            95 
      1   0.493913D+02  0.244688D+02 -0.237677D+01  0.203593D+02  0.146489D+02
      2  -0.194654D+02 -0.662032D+01  0.120491D+01 -0.123044D+01  0.354418D+01
      3  -0.299259D+02 -0.178484D+02  0.117186D+01 -0.191289D+02 -0.181931D+02
      4   0.464540D+02  0.325027D+02 -0.224033D+01  0.389366D+02  0.380478D+02
      5  -0.546734D+01 -0.273018D+01  0.746827D+01 -0.524122D+01 -0.447335D+01
      6  -0.858539D+00 -0.709329D+00  0.305637D+01 -0.226897D+01 -0.191573D+01
                96            97            98            99           100 
      1  -0.185973D+01 -0.931351D+00 -0.754731D+00  0.724337D+00  0.958497D+02
      2   0.857731D+00 -0.491473D+00 -0.736551D+00  0.201752D+00 -0.528992D+02
      3   0.100200D+01  0.142282D+01  0.149128D+01 -0.926089D+00 -0.429505D+02
      4  -0.365486D+01 -0.414423D+01 -0.377437D+01  0.306081D+01 -0.326761D+02
      5   0.524652D+01  0.273524D+01  0.190643D+01 -0.890602D+00  0.122240D+02
      6   0.415506D+01  0.155503D+01  0.225158D+01 -0.981712D+00 -0.463913D+00
               101           102           103           104           105 
      1  -0.216963D+02  0.854045D+01 -0.198754D+02  0.139934D+02 -0.307226D+01
      2   0.107662D+02 -0.563646D+01  0.840871D+01 -0.568489D+01  0.203641D+01
      3   0.109301D+02 -0.290399D+01  0.114667D+02 -0.830848D+01  0.103585D+01
      4   0.159573D+02 -0.300243D+01  0.234524D+02 -0.129276D+02  0.275169D+01
      5  -0.276607D+01  0.107583D+02 -0.513259D+01  0.279776D+01 -0.337370D+01
      6   0.641210D+00 -0.171401D+01  0.155488D+01 -0.622632D+00  0.222141D+01
               106           107           108           109           110 
      1   0.100285D+02 -0.308966D+01  0.343898D+01 -0.421614D+01  0.636790D+01
      2  -0.552577D+01  0.143358D+01 -0.219988D+01  0.558867D+01 -0.573329D+01
      3  -0.450274D+01  0.165608D+01 -0.123909D+01 -0.137253D+01 -0.634613D+00
      4  -0.608951D+01  0.286494D+01 -0.250517D+01  0.974634D+00  0.703410D+01
      5   0.448032D+01 -0.141714D+01  0.229163D+01 -0.381991D+00 -0.702615D+00
      6  -0.101935D+01  0.127317D+01 -0.757452D+00 -0.153955D+01  0.199366D+01
               111           112           113           114           115 
      1  -0.174061D+01  0.365147D+01 -0.376053D+02  0.723781D+01 -0.123559D+01
      2   0.121641D+01 -0.290963D+01  0.521705D+02 -0.749918D+01  0.136515D+01
      3   0.524201D+00 -0.741839D+00 -0.145652D+02  0.261372D+00 -0.129563D+00
      4  -0.856357D+00  0.543430D+01  0.190662D+02 -0.396564D+01 -0.880745D+00
      5   0.126034D+01 -0.839519D+00 -0.466105D+01  0.239778D+01  0.694258D+00
      6  -0.853986D+00  0.174820D+00 -0.137594D+02  0.896388D+01 -0.210330D+00
               116           117           118           119           120 
      1   0.758387D+01 -0.324942D+01  0.126188D+01 -0.328453D+01  0.624372D+00
      2  -0.913436D+01  0.347088D+01  0.359798D+01 -0.267753D+01  0.113481D+00
      3   0.155050D+01 -0.221458D+00 -0.485986D+01  0.596205D+01 -0.737853D+00
      4  -0.307113D+01 -0.116929D+00 -0.111837D+02  0.159696D+02 -0.293115D+01
      5   0.511489D+00 -0.244756D+00  0.196424D+01 -0.265439D+01  0.280160D+01
      6   0.528699D+01 -0.317340D+01 -0.188854D+01  0.195263D+01 -0.182338D+01
               121           122           123           124           125 
      1   0.136138D+01 -0.247709D+02  0.429150D+01  0.157601D+00  0.432648D+01
      2  -0.846576D+01  0.448133D+02 -0.551047D+01  0.952748D+00 -0.707265D+01
      3   0.710438D+01 -0.200424D+02  0.121898D+01 -0.111035D+01  0.274617D+01
      4   0.175956D+02 -0.432819D+02  0.746464D+01 -0.356599D+01  0.874052D+01
      5  -0.278276D+01  0.669241D+01 -0.492010D+01  0.140408D+01 -0.201923D+01
      6   0.292234D+01 -0.112540D+02  0.857226D+01 -0.149404D+01  0.560223D+01
               126           127           128           129           130 
      1  -0.299739D+01  0.483279D+00 -0.131059D+01  0.279577D+01  0.465485D+01
      2   0.349869D+01 -0.323779D+00  0.245524D+00 -0.201794D+01 -0.451253D+01
      3  -0.501303D+00 -0.159500D+00  0.106506D+01 -0.777839D+00 -0.142328D+00
      4  -0.234872D+01 -0.446372D+01  0.719541D+01 -0.373301D+01  0.107408D+02
      5   0.141272D+01  0.491758D+01 -0.288375D+01  0.729712D+01 -0.332431D+01
      6  -0.303271D+01 -0.556185D+01  0.112026D+01 -0.194942D+01  0.422801D+01
               131           132           133           134           135 
      1  -0.144478D+02  0.947407D+01 -0.681595D+00  0.110572D+02 -0.158722D+02
      2   0.144618D+02 -0.755774D+01 -0.846272D+00 -0.502131D+01  0.492574D+00
      3  -0.140150D-01 -0.191633D+01  0.152787D+01 -0.603588D+01  0.153796D+02
      4  -0.151537D+02  0.735000D+01 -0.567020D+01  0.930480D+01 -0.104732D+02
      5   0.769946D+01 -0.938464D+01  0.101253D+02 -0.108206D+02  0.160481D+02
      6  -0.166017D+02  0.177062D+02 -0.784076D+01  0.188148D+02 -0.236049D+02
               136           137           138           139           140 
      1  -0.221172D+02  0.308665D+02  0.752378D+01  0.296573D+02  0.650470D+01
      2  -0.745082D+01 -0.179777D+02 -0.904029D+01 -0.151374D+02 -0.922375D+01
      3   0.295680D+02 -0.128887D+02  0.151651D+01 -0.145200D+02  0.271906D+01
      4   0.407188D+02 -0.176099D+02  0.481077D+01 -0.912957D+01 -0.249894D+01
      5   0.478932D+01 -0.243555D+00  0.470515D+01  0.305989D+01  0.632125D+00
      6  -0.369191D+01 -0.105111D+02 -0.631027D+01 -0.100346D+02 -0.628306D+01
               141           142           143           144           145 
      1   0.319283D+01  0.584836D+01  0.296192D+01 -0.261176D+01  0.299420D+01
      2  -0.182243D+02 -0.902389D+01 -0.120974D+02  0.139524D+02 -0.413121D+01
      3   0.150315D+02  0.317553D+01  0.913553D+01 -0.113407D+02  0.113701D+01
      4  -0.458982D+00  0.182250D+02 -0.837469D+01 -0.186958D+02  0.369020D+00
      5  -0.160593D+02  0.111406D+02 -0.187259D+02  0.163950D+01  0.416456D+01
      6   0.672495D+01 -0.147196D+02  0.114931D+02  0.532638D+01  0.138177D+01
               146           147           148           149           150 
      1   0.904173D+00  0.786477D+01  0.530089D+00 -0.641287D+01 -0.604854D+01
      2   0.164935D+00 -0.689521D-01 -0.129692D+01  0.143717D+01 -0.198020D+01
      3  -0.106911D+01 -0.779582D+01  0.766836D+00  0.497570D+01  0.802874D+01
      4  -0.896002D+00  0.724621D+00  0.328111D+01  0.609479D+01  0.691777D+01
      5   0.211322D+00  0.103507D+01  0.325304D+01  0.605444D+01  0.921887D+01
      6  -0.806903D+00 -0.141393D+01  0.137821D+01  0.661752D+01  0.114720D+02
               151           152           153           154           155 
      1   0.417372D+01 -0.409902D+01 -0.174549D+02  0.785051D+02 -0.915331D+01
      2  -0.768871D+01 -0.294548D+01 -0.232427D+02 -0.442724D+02  0.505411D+01
      3   0.351499D+01  0.704450D+01  0.406976D+02 -0.342327D+02  0.409920D+01
      4   0.234913D+01  0.761316D+01  0.861707D+01 -0.888032D+01  0.102099D+02
      5   0.132349D+02  0.783316D+01  0.362859D+02  0.176152D+02 -0.229715D+01
      6   0.240165D+01  0.722253D+01  0.127141D+02 -0.134162D+01  0.117698D+01
               156           157           158           159           160 
      1   0.608058D+01 -0.147887D+02  0.796516D+01 -0.233795D+01 -0.155896D+01
      2  -0.554531D+01  0.829856D+01 -0.298289D+01  0.105050D+01 -0.887649D+00
      3  -0.535272D+00  0.649017D+01 -0.498227D+01  0.128745D+01  0.244661D+01
      4  -0.708586D+00  0.130062D+02 -0.588971D+01  0.497977D+00 -0.436976D+00
      5   0.104213D+02 -0.477238D+01  0.132252D+01 -0.183943D+01  0.113104D+02
      6  -0.421765D+00  0.222799D+01 -0.124325D+01  0.222562D+01 -0.831770D+00
               161           162           163           164           165 
      1  -0.256904D+00  0.599548D+01 -0.871360D+00  0.294462D+01  0.115177D+01
      2  -0.766326D+00 -0.579294D+01  0.208302D+01 -0.259566D+01 -0.159448D+01
      3   0.102323D+01 -0.202546D+00 -0.121166D+01 -0.348964D+00  0.442715D+00
      4  -0.927430D+00 -0.355904D+00  0.313319D+01  0.804450D+01  0.471585D+01
      5  -0.753733D+00  0.356968D+01  0.195697D+01  0.309931D+01  0.523886D+01
      6   0.131380D+01  0.350187D+00  0.680894D+01  0.408496D+00  0.908295D+00
               166           167           168           169           170 
      1  -0.501635D+01 -0.334044D+02 -0.119118D+02 -0.274644D+01 -0.262278D+02
      2   0.677908D+01  0.419745D+02  0.143551D+02  0.329795D+01  0.273361D+02
      3  -0.176273D+01 -0.857010D+01 -0.244327D+01 -0.551510D+00 -0.110824D+01
      4   0.714700D+01  0.109629D+02  0.412744D+01  0.848655D+01  0.821888D+01
      5   0.266975D+01  0.434905D+01  0.318354D+01  0.560177D+01  0.746899D+01
      6   0.369523D+01  0.225398D+02  0.176590D+02  0.700005D+01  0.328944D+02
               171           172           173           174           175 
      1  -0.222820D+02  0.996296D-01  0.386427D+01 -0.312908D+01 -0.475015D+01
      2   0.170412D+02  0.386235D+00 -0.400612D+01  0.205128D+01  0.552358D+01
      3   0.524074D+01 -0.485864D+00  0.141846D+00  0.107779D+01 -0.773432D+00
      4   0.624186D+01  0.828718D+00  0.660285D+01 -0.443067D+01  0.552868D+01
      5   0.601601D+01 -0.109004D+01 -0.262278D+01  0.362346D+01 -0.163424D+01
      6   0.261456D+02 -0.535166D+01  0.227352D+01 -0.146221D+01 -0.235745D+01
               176           177           178           179           180 
      1  -0.283096D+02  0.127772D+02  0.129444D+01  0.203480D+02 -0.215489D+02
      2   0.339566D+02 -0.140912D+02 -0.144088D+01 -0.193485D+02  0.146339D+02
      3  -0.564701D+01  0.131399D+01  0.146435D+00 -0.999521D+00  0.691506D+01
      4   0.789519D+01 -0.313606D+01 -0.588663D+01 -0.529814D+01  0.485584D+01
      5  -0.397590D+01  0.361521D+01  0.401122D+01  0.645791D+01 -0.531784D+01
      6  -0.204199D+02  0.181326D+02  0.540615D+01  0.279355D+02 -0.239369D+02
               181           182           183           184           185 
      1   0.375682D+01 -0.180235D+01 -0.443037D+01  0.779956D+00 -0.847576D+00
      2  -0.359002D+01  0.573047D+00  0.390148D+01 -0.241692D+01 -0.541216D+01
      3  -0.166798D+00  0.122930D+01  0.528896D+00  0.163696D+01  0.625974D+01
      4  -0.277215D+01  0.214562D+01  0.426954D+00 -0.246891D+00  0.758797D+01
      5  -0.496568D+01 -0.147818D+01  0.498705D+01 -0.570850D+01 -0.357473D+01
      6   0.873144D+00  0.111364D+01  0.574080D+00  0.154885D+01 -0.255611D+01
               186           187           188           189           190 
      1   0.197649D+01 -0.375817D+01 -0.629535D+00 -0.806436D+01  0.452905D+02
      2   0.119222D+02  0.617359D+01  0.950712D+01 -0.197390D+02 -0.993872D+01
      3  -0.138987D+02 -0.241542D+01 -0.887758D+01  0.278034D+02 -0.353517D+02
      4  -0.353983D+01  0.811674D+00 -0.535521D+01  0.546212D+01 -0.527353D+02
      5   0.120403D+02  0.841180D+01  0.505628D+01 -0.206826D+02 -0.144086D+02
      6  -0.180333D+01 -0.127904D+01  0.278631D+01  0.751419D+01  0.595020D+01
               191           192           193           194           195 
      1  -0.145201D+02 -0.508867D-01 -0.101822D+02  0.301125D+01 -0.103113D+01
      2  -0.350358D+01  0.185723D+01 -0.487616D+01  0.956346D+01  0.144004D+01
      3   0.180236D+02 -0.180634D+01  0.150584D+02 -0.125747D+02 -0.408911D+00
      4   0.321281D+02  0.323901D+01  0.268398D+02 -0.224259D+02 -0.133202D+01
      5   0.676892D+01  0.965615D+01  0.436100D+01 -0.347538D+01 -0.237862D+01
      6  -0.432219D+01 -0.635997D+01 -0.231405D+01  0.401850D+01  0.357456D+01
               196           197           198           199           200 
      1   0.425649D+01 -0.110549D+01  0.407540D+01 -0.694147D+01 -0.171211D+02
      2   0.160569D+01 -0.131364D+01 -0.267865D+01  0.965036D+01  0.184952D+02
      3  -0.586218D+01  0.241913D+01 -0.139675D+01 -0.270889D+01 -0.137406D+01
      4  -0.721728D+01  0.491807D+01 -0.408326D+01  0.287708D+01  0.282202D+01
      5   0.733544D+01 -0.200836D+01  0.120092D+00  0.271120D+01  0.685066D+00
      6  -0.455098D+01  0.272883D+01 -0.116262D+01  0.432343D+01  0.103295D+02
               201           202           203           204           205 
      1  -0.807302D+01 -0.120342D+02 -0.270614D+02 -0.108061D+02 -0.369659D+01
      2   0.591215D+01  0.107234D+02  0.363438D+02  0.110176D+02  0.265183D+01
      3   0.216088D+01  0.131084D+01 -0.928236D+01 -0.211570D+00  0.104476D+01
      4  -0.144864D+00  0.713553D+01 -0.636910D+01 -0.229259D+01 -0.501870D+00
      5  -0.855848D+00  0.264805D+01 -0.171809D+01 -0.103062D+01  0.114386D+01
      6   0.844437D+01  0.450736D+01  0.179841D+02  0.112748D+02  0.439294D+01
               206           207 
      1  -0.901302D+01 -0.911589D+01
      2   0.754897D+01  0.444371D+01
      3   0.146405D+01  0.467217D+01
      4  -0.535785D+00  0.129646D+01
      5  -0.783397D-01 -0.164433D+01
      6   0.103261D+02  0.829711D+01
 Leave Link  716 at Sun Jul 18 13:39:25 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149366D+03 -0.248291D+01  0.276215D+01
      2  -0.248291D+01  0.130373D+03 -0.399227D+01
      3   0.276215D+01 -0.399227D+01  0.853784D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.220813D+01 -0.565329D+01 -0.114819D+02
      2   0.763817D+01 -0.126305D+02 -0.696514D+01
      3   0.511232D+01 -0.501485D+02  0.946369D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.143168D+03  0.159508D+02  0.345513D+01
      2  -0.723130D+02  0.402270D+01  0.101431D+02
      3  -0.708551D+02 -0.199735D+02 -0.135983D+02
      4   0.519241D+02  0.658869D+02 -0.287769D+02
      5   0.227892D+01 -0.301979D+02 -0.221670D+02
      6  -0.141979D+02  0.772613D+01  0.151621D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.169282D+01  0.177509D+01 -0.275027D+00  0.454603D+01 -0.108467D+01
      2   0.177509D+01  0.180057D+01 -0.529874D+00 -0.108467D+01  0.240547D+01
      3  -0.275027D+00 -0.529874D+00  0.186125D+01  0.970040D+00  0.850891D+00
                 6             7             8             9            10 
      1   0.970040D+00 -0.150592D+01  0.801970D+00  0.414219D+01  0.483328D+01
      2   0.850891D+00  0.801970D+00  0.744350D+00  0.285843D+01 -0.108857D+01
      3   0.129032D+01  0.414219D+01  0.285843D+01 -0.475829D+00 -0.453981D+00
                11            12            13            14            15 
      1  -0.108857D+01 -0.453981D+00 -0.231133D+01 -0.156214D+01  0.106634D+01
      2   0.251479D+01 -0.159653D+00 -0.156214D+01 -0.259013D+01 -0.674463D+00
      3  -0.159653D+00  0.195726D+01  0.106634D+01 -0.674463D+00 -0.474214D+00
                16            17            18            19            20 
      1   0.156772D+00  0.127286D+01  0.506693D+01  0.591225D+00 -0.509391D+01
      2   0.127286D+01  0.164493D+00 -0.134469D+01 -0.509391D+01  0.101268D+00
      3   0.506693D+01 -0.134469D+01  0.116060D+01  0.189013D+00 -0.152963D+00
                21            22            23            24            25 
      1   0.189013D+00  0.479462D+01 -0.120957D+01 -0.148841D+00 -0.698338D+00
      2  -0.152963D+00 -0.120957D+01  0.177873D+01  0.100390D+01 -0.105237D+01
      3  -0.440439D+00 -0.148841D+00  0.100390D+01  0.149956D+01  0.501590D-01
                26            27            28            29            30 
      1  -0.105237D+01  0.501590D-01 -0.128782D+02  0.619376D+01 -0.229607D+00
      2   0.125882D+01  0.348641D+01  0.619376D+01 -0.618301D+01  0.219712D+00
      3   0.348641D+01 -0.220351D+01 -0.229607D+00  0.219712D+00 -0.153975D+01
                31            32            33            34            35 
      1   0.993793D+01  0.140873D+01 -0.683889D+00 -0.191336D+01 -0.947868D+00
      2   0.140873D+01  0.312799D+01 -0.272304D+00 -0.947868D+00 -0.255646D+00
      3  -0.683889D+00 -0.272304D+00  0.447205D+00 -0.315123D+01  0.175400D+01
                36            37            38            39            40 
      1  -0.315123D+01 -0.165936D+01 -0.493181D+01  0.477308D+00 -0.135613D+02
      2   0.175400D+01 -0.493181D+01 -0.666797D+01  0.334449D+00 -0.264132D+01
      3  -0.927881D+00  0.477308D+00  0.334449D+00 -0.953870D+00 -0.446314D+00
                41            42            43            44            45 
      1  -0.264132D+01 -0.446314D+00  0.308258D+01 -0.180881D+00 -0.205992D+01
      2  -0.646559D+01 -0.248334D+00 -0.180881D+00 -0.412320D+00 -0.266029D+01
      3  -0.248334D+00 -0.830746D+00 -0.205992D+01 -0.266029D+01  0.565290D+00
                46            47            48            49            50 
      1  -0.306192D+01  0.398361D+01 -0.274792D+00 -0.390289D+01  0.387700D+00
      2   0.398361D+01  0.255936D+01  0.400874D+00  0.387700D+00 -0.103472D+01
      3  -0.274792D+00  0.400874D+00 -0.229318D+00  0.535808D-01 -0.865158D+00
                51            52            53            54            55 
      1   0.535808D-01  0.377119D+00  0.551142D+00  0.138159D+01  0.278171D+01
      2  -0.865158D+00  0.551142D+00 -0.144800D+01 -0.346579D+01 -0.123008D+01
      3  -0.150155D+01  0.138159D+01 -0.346579D+01  0.192336D+01 -0.280139D+00
                56            57            58            59            60 
      1  -0.123008D+01 -0.280139D+00 -0.322915D+01  0.484768D+01  0.134987D+01
      2   0.334874D+01  0.164922D+01  0.484768D+01 -0.217367D+01  0.212709D+01
      3   0.164922D+01  0.194640D+01  0.134987D+01  0.212709D+01 -0.406611D+01
                61            62            63            64            65 
      1  -0.227670D+01  0.211760D+01  0.363683D+01  0.684886D+01 -0.248360D+01
      2   0.211760D+01  0.847574D+00 -0.517415D+01 -0.248360D+01 -0.178693D+01
      3   0.363683D+01 -0.517415D+01  0.167058D+01 -0.109693D-01 -0.100073D+01
                66            67            68            69            70 
      1  -0.109693D-01 -0.400119D+01 -0.813395D+00 -0.106156D+01 -0.441311D+00
      2  -0.100073D+01 -0.813395D+00  0.355391D+00 -0.146170D+01 -0.426472D+00
      3  -0.217862D+01 -0.106156D+01 -0.146170D+01  0.156825D+01  0.159277D+00
                71            72            73            74            75 
      1  -0.426472D+00  0.159277D+00 -0.582837D+01 -0.798020D+00  0.105571D+01
      2  -0.101003D+01  0.357457D+01 -0.798020D+00  0.126166D+01  0.912057D+00
      3   0.357457D+01  0.653239D+01  0.105571D+01  0.912057D+00  0.207295D+00
                76            77            78            79            80 
      1   0.590414D+00 -0.181386D+01  0.567056D+00  0.118937D+01 -0.808185D-01
      2  -0.181386D+01 -0.313830D+01  0.117281D+01 -0.808185D-01  0.127793D+01
      3   0.567056D+00  0.117281D+01  0.178411D+00 -0.134551D+01 -0.200889D+01
                81            82            83            84            85 
      1  -0.134551D+01  0.312494D+01  0.542350D+00  0.417978D-01  0.231866D+01
      2  -0.200889D+01  0.542350D+00 -0.696957D+00 -0.299085D+00  0.447580D+01
      3   0.246348D+00  0.417978D-01 -0.299085D+00 -0.600844D+00  0.518233D+00
                86            87            88            89            90 
      1   0.447580D+01  0.518233D+00  0.666374D+00  0.111343D+01  0.136426D+01
      2   0.963424D+01  0.691457D+00  0.111343D+01  0.238388D+01  0.671085D+01
      3   0.691457D+00  0.377494D+01  0.136426D+01  0.671085D+01  0.758250D+00
                91            92            93            94            95 
      1   0.805406D+01  0.455125D+01 -0.391928D+00  0.461439D+01  0.428128D+01
      2   0.455125D+01  0.319429D+01 -0.231747D+00  0.428128D+01  0.452626D+01
      3  -0.391928D+00 -0.231747D+00  0.686538D+00 -0.555280D+00 -0.454299D+00
                96            97            98            99           100 
      1  -0.555280D+00 -0.373229D+00 -0.431307D+00  0.105275D+00  0.125589D+02
      2  -0.454299D+00 -0.431307D+00 -0.672352D+00  0.139471D+00 -0.302040D+01
      3   0.621215D+00  0.105275D+00  0.139471D+00 -0.141038D+00  0.127941D+01
               101           102           103           104           105 
      1  -0.302040D+01  0.127941D+01 -0.308361D+01  0.241361D+01 -0.606338D+00
      2   0.144385D+01 -0.314924D+00  0.241361D+01 -0.142105D+01  0.316264D+00
      3  -0.314924D+00  0.972002D+00 -0.606338D+00  0.316264D+00 -0.377486D+00
               106           107           108           109           110 
      1   0.158038D+01 -0.590211D+00  0.248585D+00 -0.493263D+00  0.132460D+01
      2  -0.590211D+00  0.419945D+00 -0.145602D+00  0.132460D+01 -0.960764D+00
      3   0.248585D+00 -0.145602D+00  0.209319D+00 -0.219287D+00  0.275000D+00
               111           112           113           114           115 
      1  -0.219287D+00  0.113402D+01 -0.479158D+00  0.354148D-01 -0.197402D+00
      2   0.275000D+00 -0.479158D+00  0.975301D+01 -0.175381D+01  0.268078D+00
      3  -0.102159D+00  0.354148D-01 -0.175381D+01  0.113909D+01  0.700233D-01
               116           117           118           119           120 
      1   0.268078D+00  0.700233D-01  0.112697D+01 -0.175320D+01  0.378989D+00
      2  -0.193349D+01  0.473459D+00 -0.175320D+01  0.174783D+01 -0.357350D+00
      3   0.473459D+00 -0.294513D+00  0.378989D+00 -0.357350D+00  0.323628D+00
               121           122           123           124           125 
      1  -0.178383D+01  0.253273D+01 -0.486306D+00  0.213915D+00 -0.548373D+00
      2   0.253273D+01 -0.101247D+02  0.175580D+01 -0.548373D+00  0.192616D+01
      3  -0.486306D+00  0.175580D+01 -0.114301D+01  0.231738D+00 -0.523336D+00
               126           127           128           129           130 
      1   0.231738D+00 -0.375762D+00  0.988898D+00 -0.114560D+01  0.256500D+01
      2  -0.523336D+00  0.988898D+00 -0.607922D+00  0.104997D+00 -0.210760D+01
      3   0.295508D+00 -0.114560D+01  0.104997D+00 -0.686645D+00  0.528515D+00
               131           132           133           134           135 
      1  -0.210760D+01  0.528515D+00 -0.186331D+01  0.929408D+00 -0.168132D+01
      2   0.459279D+01 -0.256522D+01  0.929408D+00 -0.298381D+01  0.342519D+01
      3  -0.256522D+01  0.295739D+01 -0.168132D+01  0.342519D+01 -0.533474D+01
               136           137           138           139           140 
      1   0.627149D+01 -0.523465D+01  0.369731D-01 -0.247378D+01 -0.198123D+01
      2  -0.523465D+01 -0.856325D+00 -0.215224D+01 -0.198123D+01 -0.104286D+01
      3   0.369731D-01 -0.215224D+01 -0.132991D+01 -0.235409D+01 -0.127866D+01
               141           142           143           144           145 
      1  -0.235409D+01  0.481793D+01 -0.409772D+01 -0.223699D+01 -0.564983D+00
      2  -0.127866D+01 -0.409772D+01  0.674792D+00  0.376168D+01 -0.911351D-01
      3   0.342942D+01 -0.223699D+01  0.376168D+01 -0.990106D+00 -0.998466D+00
               146           147           148           149           150 
      1  -0.911351D-01 -0.998466D+00 -0.119206D+00 -0.193450D+00 -0.356355D+00
      2   0.563262D+00  0.295009D+00 -0.193450D+00 -0.147351D+01 -0.167783D+01
      3   0.295009D+00  0.119284D+01 -0.356355D+00 -0.167783D+01 -0.234200D+01
               151           152           153           154           155 
      1  -0.140684D+01 -0.261979D+00 -0.174316D+01 -0.121511D+02  0.143847D+01
      2  -0.261979D+00 -0.168061D+01 -0.195584D+01  0.143847D+01 -0.120264D+01
      3  -0.174316D+01 -0.195584D+01 -0.906394D+01 -0.112782D+01  0.123231D+00
               156           157           158           159           160 
      1  -0.112782D+01  0.249085D+01 -0.150176D+01  0.376765D+00  0.343649D+00
      2   0.123231D+00 -0.150176D+01  0.878768D+00  0.583917D-02  0.581664D-01
      3  -0.109458D+01  0.376765D+00  0.583917D-02  0.721295D-01 -0.132803D+01
               161           162           163           164           165 
      1   0.581664D-01 -0.132803D+01 -0.765068D+00 -0.113678D+01 -0.976842D+00
      2   0.260481D+00 -0.419808D-01 -0.113678D+01  0.249827D+00 -0.678627D-01
      3  -0.419808D-01 -0.605782D+00 -0.976842D+00 -0.678627D-01 -0.291672D+00
               166           167           168           169           170 
      1  -0.178970D+01 -0.190961D+01 -0.486046D+00 -0.277955D+01 -0.140461D+01
      2  -0.190961D+01 -0.787959D+01 -0.293562D+01 -0.140461D+01 -0.601025D+01
      3  -0.486046D+00 -0.293562D+01 -0.217094D+01 -0.948773D+00 -0.466872D+01
               171           172           173           174           175 
      1  -0.948773D+00 -0.234787D-02 -0.480191D+00  0.850305D+00 -0.142763D+01
      2  -0.466872D+01 -0.480191D+00  0.699320D+00 -0.302801D+00 -0.151267D+01
      3  -0.421212D+01  0.850305D+00 -0.302801D+00  0.162574D+00  0.279194D+00
               176           177           178           179           180 
      1  -0.151267D+01  0.279194D+00  0.169057D+01  0.812824D+00 -0.678109D+00
      2  -0.655159D+01  0.284353D+01  0.812824D+00  0.440805D+01 -0.419437D+01
      3   0.284353D+01 -0.248391D+01 -0.678109D+00 -0.419437D+01  0.407681D+01
               181           182           183           184           185 
      1  -0.871609D+00  0.194628D-01  0.805337D+00 -0.904825D+00  0.172774D+00
      2   0.194628D-01  0.938745D-01  0.307329D+00  0.172774D+00 -0.165572D+01
      3   0.805337D+00  0.307329D+00 -0.508605D-01  0.898129D+00  0.103463D+01
               186           187           188           189           190 
      1   0.898129D+00  0.101656D+01  0.396533D+00 -0.100811D+01 -0.107373D+02
      2   0.103463D+01  0.396533D+00  0.145769D+01 -0.124386D+01  0.492248D+01
      3  -0.308448D+01 -0.100811D+01 -0.124386D+01  0.553472D+01  0.828346D+00
               191           192           193           194           195 
      1   0.492248D+01  0.828346D+00  0.382218D+01 -0.282815D+01 -0.512233D-01
      2  -0.326153D+01 -0.461683D+00 -0.282815D+01  0.297176D+01  0.400644D+00
      3  -0.461683D+00 -0.128451D+01 -0.512233D-01  0.400644D+00  0.268965D+00
               196           197           198           199           200 
      1  -0.167222D+01  0.984487D+00 -0.907305D+00  0.150504D+01  0.160238D+01
      2   0.984487D+00 -0.804134D+00  0.190079D+00  0.160238D+01  0.264540D+01
      3  -0.907305D+00  0.190079D+00 -0.150402D+00  0.441272D+00  0.140904D+01
               201           202           203           204           205 
      1   0.441272D+00  0.177433D+01  0.111828D+01  0.593109D+00 -0.705417D-02
      2   0.140904D+01  0.111828D+01  0.552698D+01  0.198454D+01  0.716122D+00
      3   0.147337D+01  0.593109D+00  0.198454D+01  0.122753D+01  0.631596D+00
               206           207 
      1   0.716122D+00  0.631596D+00
      2   0.138645D+01  0.105337D+01
      3   0.105337D+01  0.142669D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.683041D+00 -0.833504D+00 -0.263388D+01 -0.178326D+01  0.101234D+01
      2  -0.137333D+01 -0.662781D+00  0.469222D+01  0.276594D+01  0.213940D+01
      3  -0.446076D+01 -0.127879D+02  0.135965D+01  0.744331D+01 -0.162039D+00
                 6             7             8             9            10 
      1  -0.316657D+00 -0.804608D+01  0.615524D+01 -0.235831D+01 -0.443875D+00
      2   0.429272D+01  0.143715D+01  0.111043D+02 -0.198510D+01  0.582722D+00
      3  -0.181777D+01 -0.128613D+01 -0.316852D+01 -0.425620D+01  0.407029D+01
                11            12            13            14            15 
      1  -0.427423D+00  0.126247D+01 -0.177201D+00  0.193522D+01  0.745993D+00
      2  -0.280545D+00  0.587670D+01  0.367259D+01 -0.989854D+00 -0.205513D+01
      3  -0.103479D+02  0.685017D+00  0.116488D+02 -0.595003D+00  0.244522D+01
                16            17            18            19            20 
      1   0.507896D+01  0.110528D+02 -0.137031D+01  0.571069D+00  0.934042D+00
      2   0.837901D+01 -0.633235D+01  0.317704D+01  0.283548D+01 -0.337966D+01
      3  -0.328533D+01  0.193316D+01  0.187013D+01  0.498104D+01 -0.639142D+01
                21            22            23            24            25 
      1   0.183178D+01  0.151892D+00 -0.483590D+00 -0.271724D+01  0.266681D+01
      2  -0.836048D+00 -0.199625D+01 -0.239198D+00  0.286594D+01 -0.142655D+02
      3   0.247458D+01  0.440528D+01 -0.850274D+01 -0.457887D+00  0.287599D+01
                26            27            28            29            30 
      1   0.455608D+00  0.143952D+01 -0.757690D+00 -0.506902D+00  0.122359D+01
      2   0.534941D+01 -0.401149D+01 -0.127919D+01  0.260295D+01 -0.223907D+01
      3  -0.243150D+01 -0.784837D+01 -0.925621D+00  0.121166D+02 -0.100666D+01
                31            32            33            34            35 
      1  -0.643262D+00  0.219289D+01 -0.480045D+00  0.256360D+01  0.926275D+01
      2   0.245470D+01 -0.125145D+01 -0.653079D-01 -0.149464D+02  0.162886D+01
      3   0.132742D+02 -0.126477D+02 -0.204263D+01  0.158161D+01  0.347248D+01
                36            37            38            39            40 
      1  -0.821279D+00  0.142122D+01 -0.576458D+00 -0.251588D+00 -0.183903D+01
      2  -0.821447D+00  0.965668D+00  0.733888D+00 -0.137283D+01 -0.280519D+01
      3  -0.224308D+01 -0.689326D+01  0.711636D+01 -0.292804D+01  0.118343D+02
                41            42            43            44            45 
      1  -0.199608D+00 -0.861729D+00 -0.395085D+01  0.820635D+01 -0.499842D+00
      2   0.376987D+01 -0.523417D+00 -0.140981D+02 -0.603743D+00 -0.910771D+00
      3   0.191854D+02  0.109246D+01 -0.808105D-01 -0.296213D+01  0.370778D+01
                46            47            48            49            50 
      1  -0.117918D+00  0.837629D+00 -0.959436D+00  0.140662D+01 -0.478918D+00
      2  -0.737890D+00 -0.157260D+01  0.489319D-01 -0.242266D+01 -0.203972D+01
      3  -0.633046D+00 -0.127865D+02  0.180464D+01 -0.108159D+00  0.539994D+01
                51            52            53            54            55 
      1  -0.213459D+01  0.190017D+01  0.926107D+00  0.120311D+00  0.818832D+00
      2  -0.383646D+01 -0.107210D+02 -0.949256D+01  0.331507D+01 -0.410529D+00
      3   0.988661D+00  0.186258D+01  0.152496D+01  0.745418D+01  0.374698D+01
                56            57            58            59            60 
      1  -0.322053D+01 -0.308046D+01 -0.167934D+01 -0.396608D+01  0.133876D+01
      2  -0.164059D+01  0.108566D+01 -0.388921D+01  0.333528D+00  0.676864D+01
      3  -0.205305D+01  0.212105D+01  0.125880D+02  0.638590D+01  0.707397D+01
                61            62            63            64            65 
      1  -0.754499D+01  0.989706D+01 -0.353780D+00  0.294299D+01  0.186259D+01
      2  -0.120948D+02  0.102338D+02 -0.322410D+00  0.883557D+01 -0.199359D+01
      3   0.867346D-02  0.730978D+01 -0.532428D+01 -0.114166D+02 -0.755325D+01
                66            67            68            69            70 
      1   0.160857D+01 -0.832747D+00  0.275113D+01  0.166591D+01  0.256051D+01
      2   0.664952D+01 -0.230406D+01  0.193741D+01 -0.610030D+01 -0.284614D+01
      3  -0.335976D+01 -0.581579D+01  0.281214D+01 -0.519974D+01  0.781999D+00
                71            72            73            74            75 
      1   0.141967D+01 -0.233102D+01  0.529017D+00  0.945965D+00  0.630229D+00
      2  -0.107839D+02 -0.166775D+02  0.164192D+01 -0.106613D+01  0.602202D+01
      3  -0.331245D+01  0.792746D+01  0.136388D+02 -0.622154D+01  0.100389D+01
                76            77            78            79            80 
      1  -0.872339D+00  0.181381D+01 -0.781516D+01 -0.478880D+01  0.186636D+01
      2   0.118227D+00 -0.412103D+01 -0.500127D+00 -0.321824D+01  0.555943D+01
      3   0.409176D+01 -0.553378D+01  0.533227D+01 -0.221074D+01  0.800540D+01
                81            82            83            84            85 
      1   0.404869D+01  0.141068D+00  0.492008D+00 -0.385244D+01  0.167892D+01
      2  -0.151402D+01 -0.269112D+01  0.509757D+00 -0.202153D+01  0.415691D+00
      3  -0.243492D+01 -0.594600D+01 -0.775784D+00 -0.114564D+01  0.713481D+01
                86            87            88            89            90 
      1   0.209387D+01  0.985833D+01  0.733477D+01  0.233247D+02  0.162241D+01
      2  -0.432048D+00 -0.526736D+00 -0.619779D+01 -0.523254D+01 -0.118972D+00
      3  -0.702506D+01 -0.987858D+00 -0.355792D+01 -0.320036D+01  0.333377D+01
                91            92            93            94            95 
      1  -0.207521D+00 -0.404231D+00 -0.228277D+01  0.288364D+00 -0.120056D+00
      2   0.408411D+00  0.266324D+00  0.401564D+01 -0.923070D+00 -0.759326D+00
      3  -0.277012D+01 -0.610084D+01  0.987396D-01 -0.551872D+01 -0.941798D+01
                96            97            98            99           100 
      1  -0.232033D+01  0.112391D+01  0.912909D+00  0.195635D+00  0.240639D+00
      2   0.325813D+01 -0.141414D+01 -0.786751D+00 -0.251510D+00  0.194485D+01
      3   0.678397D+00  0.763794D+00  0.122751D+01 -0.130312D+00  0.266003D+01
               101           102           103           104           105 
      1   0.396934D+00  0.142070D+01 -0.704953D-01 -0.158301D+00 -0.807008D+00
      2  -0.495665D+00  0.599370D+01 -0.170499D+01  0.813142D+00 -0.212052D+01
      3  -0.585521D+01  0.303423D+00 -0.520557D+01  0.390284D+01 -0.694890D+00
               106           107           108           109           110 
      1  -0.717470D+00  0.410253D+00  0.213589D+00 -0.326920D+00  0.128303D+00
      2  -0.198082D+01  0.453661D+00  0.619121D+00 -0.751392D+00  0.687628D+00
      3   0.963384D+00 -0.117522D+01  0.290721D+00 -0.451995D+01  0.376078D+01
               111           112           113           114           115 
      1   0.656696D+00  0.415922D+00 -0.927528D+00 -0.452209D+01 -0.298573D+00
      2  -0.882468D-01  0.102839D+01 -0.256094D+01  0.108857D+01 -0.125954D+01
      3  -0.642451D+00  0.613091D+01 -0.155556D+02  0.282642D+01 -0.134031D+01
               116           117           118           119           120 
      1   0.208557D+01  0.617979D+00  0.249549D-01 -0.201310D+00  0.993958D+00
      2   0.374665D+00 -0.761989D-01  0.483975D+00 -0.272074D+00  0.796275D+00
      3   0.332417D+01 -0.190036D+00  0.183698D+01 -0.716814D+00  0.158321D+00
               121           122           123           124           125 
      1  -0.304995D+00 -0.250526D+00 -0.457731D+01 -0.707898D-01  0.169260D+01
      2  -0.104290D+00  0.331372D+01 -0.271430D+01 -0.102328D+01 -0.361026D-01
      3   0.123275D+01  0.170924D+02 -0.289667D+01 -0.156537D+00 -0.339349D+01
               126           127           128           129           130 
      1   0.679461D+00  0.953512D+00  0.385146D+00  0.925487D+00 -0.297430D+00
      2   0.436986D+00  0.155166D+01  0.279605D-01  0.114924D+01  0.886929D+00
      3   0.449879D-01  0.233728D+01 -0.204336D+01 -0.131548D+01  0.189846D+01
               131           132           133           134           135 
      1   0.299229D-01 -0.411851D+01  0.236658D+01 -0.343537D+00  0.513970D+01
      2   0.267820D+01 -0.438904D+01 -0.491521D+00 -0.451442D+01  0.679795D+01
      3   0.537539D+01 -0.409325D+01 -0.207504D+01 -0.532720D+01  0.463723D+01
               136           137           138           139           140 
      1  -0.637872D+01  0.243502D+01  0.618154D+00  0.559895D+01 -0.491117D+00
      2  -0.704083D+01  0.112131D+02  0.567704D+01  0.105567D+02  0.292369D+01
      3   0.222844D+01 -0.171899D+02 -0.485481D+01 -0.981362D+01 -0.773510D+01
               141           142           143           144           145 
      1  -0.130813D+02  0.963061D+00 -0.786531D+01  0.548355D+01  0.663115D-01
      2  -0.449840D+01  0.281546D+01 -0.547071D+01  0.308258D+01  0.247653D+01
      3  -0.884488D+01 -0.211221D+01 -0.971633D+01  0.439541D+01  0.733889D+00
               146           147           148           149           150 
      1  -0.170517D+01  0.166056D+00 -0.282011D+00  0.258447D+01  0.277990D+00
      2  -0.365203D+00 -0.303311D+01 -0.641055D+00  0.369496D+01  0.489796D+01
      3   0.184520D+01  0.518621D+00  0.283809D+01 -0.383473D+01 -0.356799D+01
               151           152           153           154           155 
      1  -0.358648D-01  0.527851D+01  0.653082D+00 -0.114842D+01  0.146446D+01
      2  -0.114737D+01  0.445159D+01  0.201643D+02 -0.789277D+01  0.910447D+00
      3   0.527123D+00 -0.506001D+01 -0.298535D+01  0.468690D+01 -0.727913D+01
               156           157           158           159           160 
      1   0.210056D+00  0.127896D+01 -0.114771D+01 -0.877928D+00 -0.409811D+00
      2   0.500109D+01  0.135270D+01 -0.109215D+01 -0.499699D+00  0.262071D+01
      3   0.473477D+00 -0.299841D+01  0.353873D+01  0.533915D+00  0.623167D+00
               161           162           163           164           165 
      1   0.433582D+00  0.433910D+00 -0.280329D+01  0.113862D+00 -0.526681D+00
      2   0.344138D+00  0.363664D+00 -0.426981D+00 -0.360041D+00  0.144053D+01
      3   0.139547D+01 -0.163665D+00  0.219436D+01  0.164776D+01  0.310054D+01
               166           167           168           169           170 
      1  -0.185916D+01 -0.591386D+01 -0.755138D+01 -0.306386D+01 -0.986479D+01
      2  -0.407372D-01  0.122437D+01  0.121155D+01 -0.216115D+00  0.249251D+01
      3   0.383295D+01 -0.236032D+01 -0.134772D+01  0.787112D+01 -0.579907D+00
               171           172           173           174           175 
      1  -0.111239D+02  0.178912D+01 -0.231477D+00  0.578078D+00  0.119095D+01
      2   0.165328D+01 -0.737026D-02  0.342713D+00  0.431782D+00  0.538583D+00
      3  -0.209504D+01 -0.638666D+00 -0.128341D+01 -0.223334D+01  0.298608D+01
               176           177           178           179           180 
      1   0.510313D+01 -0.713603D+01 -0.218313D+01 -0.807304D+01  0.993702D+01
      2  -0.237034D+01  0.189415D+01 -0.125660D+01  0.276775D+01 -0.292250D+01
      3  -0.202980D+01  0.242197D+01 -0.467642D+01  0.283776D+01 -0.306191D+01
               181           182           183           184           185 
      1  -0.150525D+01 -0.267228D+00  0.706742D+00 -0.129167D+01 -0.688842D+01
      2  -0.701853D+00 -0.514565D+00  0.340658D-01  0.220714D-01 -0.231760D+01
      3  -0.134154D+01 -0.293699D+00  0.178683D+01 -0.153372D+00 -0.435542D+01
               186           187           188           189           190 
      1   0.634289D+01  0.205304D+01  0.695707D+01 -0.120032D+02  0.203179D+01
      2   0.554286D+01 -0.165581D+01  0.267374D+01 -0.981511D+01  0.723881D+01
      3   0.370493D+01  0.240435D+01  0.431643D+01 -0.478435D+01 -0.126702D+02
               191           192           193           194           195 
      1  -0.207242D+01  0.354767D+01 -0.198523D+01  0.169405D+01 -0.119433D+01
      2  -0.278825D+01  0.518684D+01 -0.312011D+01  0.101478D+01 -0.154814D+01
      3  -0.216750D-01  0.296910D+00  0.353468D+01  0.151584D+01  0.821300D+00
               196           197           198           199           200 
      1   0.199702D+01  0.314892D+00  0.489431D+00  0.147603D+01  0.450698D+00
      2   0.128334D+01 -0.415773D+00  0.124306D+01 -0.427200D+01 -0.389887D+01
      3  -0.974969D+00  0.485315D+00 -0.181243D+01  0.103411D+02  0.803046D+01
               201           202           203           204           205 
      1  -0.279298D+01  0.527241D+00  0.181066D+01 -0.240645D+01 -0.738451D+00
      2  -0.182220D+01 -0.386092D+01 -0.566943D+01 -0.244295D+01 -0.238443D+01
      3   0.329377D+01  0.942121D+01  0.133059D+02  0.541134D+01  0.149263D+01
               206           207 
      1   0.678818D+00 -0.220594D+01
      2  -0.252413D+01 -0.280562D+01
      3   0.449469D+01  0.366828D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.653508D+00 -0.177486D+02  0.293143D+01  0.290643D+02 -0.167788D+01
      2  -0.361713D+01  0.123332D+02  0.439708D+00 -0.270359D+02 -0.273009D+01
      3   0.427063D+01  0.541538D+01 -0.337114D+01 -0.202838D+01  0.440797D+01
      4  -0.197702D+02  0.135274D+02 -0.381701D+01 -0.327626D+01 -0.184328D+02
      5  -0.139086D+01 -0.224572D+01  0.977954D+01  0.757976D+01  0.592969D+01
      6  -0.201773D+01 -0.197737D+01  0.631127D+01  0.619091D+01  0.248330D+01
                 6             7             8             9            10 
      1   0.236586D+01 -0.844240D+01 -0.145972D+01  0.111404D+02 -0.720193D+01
      2  -0.287375D+01  0.978652D+01  0.338491D+01 -0.138675D+02  0.419249D+01
      3   0.507888D+00 -0.134411D+01 -0.192519D+01  0.272710D+01  0.300944D+01
      4   0.884407D+01  0.283972D+01  0.959706D+01  0.147093D+02  0.118648D+02
      5   0.933312D+01  0.289230D+02  0.165540D+02 -0.515742D+01 -0.649571D+01
      6   0.157842D+01  0.928763D+01  0.950547D+01  0.302893D+01 -0.710559D+00
                11            12            13            14            15 
      1   0.723265D+01 -0.617665D+01 -0.195198D+02 -0.202268D+02  0.589709D+01
      2  -0.416657D+01  0.282103D+01  0.171980D+02  0.184729D+02 -0.647459D+01
      3  -0.306608D+01  0.335562D+01  0.232181D+01  0.175398D+01  0.577500D+00
      4   0.220480D+02 -0.919095D-01 -0.181694D+02  0.147367D+02 -0.712280D+01
      5   0.848073D+00  0.128959D+02  0.100243D+02 -0.372194D+01 -0.467783D+01
      6   0.390850D+00 -0.322858D+01 -0.506413D+01 -0.178132D+01 -0.158953D+01
                16            17            18            19            20 
      1  -0.326774D+01  0.796900D+01  0.168753D+02  0.988573D+01 -0.381665D+01
      2  -0.202327D+01 -0.523595D+01 -0.197782D+02 -0.715011D+01 -0.249536D+00
      3   0.529101D+01 -0.273306D+01  0.290289D+01 -0.273562D+01  0.406618D+01
      4   0.120267D+02 -0.487943D+01 -0.535722D+01  0.750634D+01 -0.246571D+02
      5   0.361760D+02 -0.853096D+01  0.644686D+01  0.300563D+01  0.180094D+01
      6  -0.400622D+01  0.450042D+01  0.197452D+01  0.174684D+01 -0.331817D+00
                21            22            23            24            25 
      1   0.838431D+00  0.780820D+01  0.109230D+02 -0.529850D+01  0.156465D+01
      2  -0.131220D+01 -0.409270D+00 -0.171282D+02  0.722721D+01 -0.232494D+01
      3   0.473774D+00 -0.739893D+01  0.620525D+01 -0.192871D+01  0.760287D+00
      4   0.333629D+01  0.187325D+02  0.857292D+01  0.586943D+00 -0.124777D+01
      5  -0.353921D+01 -0.112807D+01  0.156451D+00  0.376579D+01  0.255435D+01
      6  -0.303591D+01 -0.211745D+01  0.109745D+02  0.468130D+01  0.120267D+01
                26            27            28            29            30 
      1  -0.452083D+01 -0.138458D+02 -0.343722D+02  0.145313D+02 -0.135673D+01
      2   0.107410D+02  0.150452D+01  0.203381D+02 -0.807871D+01 -0.119241D+00
      3  -0.622019D+01  0.123413D+02  0.140341D+02 -0.645261D+01  0.147597D+01
      4  -0.248184D+01  0.116430D+02 -0.127533D+02  0.109146D+02 -0.178818D+00
      5   0.107437D+02 -0.798668D+01 -0.338361D+01  0.132914D+01 -0.196280D+01
      6   0.148443D+02 -0.587119D+01  0.277815D+01 -0.339007D+00 -0.214962D+01
                31            32            33            34            35 
      1   0.159596D+02 -0.552994D+00  0.678042D+00 -0.788386D+01  0.208354D+01
      2  -0.707247D+01  0.364549D+01 -0.293190D+01 -0.248300D+00 -0.144563D+01
      3  -0.888718D+01 -0.309250D+01  0.225386D+01  0.813216D+01 -0.637914D+00
      4  -0.288756D+01  0.454186D+01 -0.108675D+01  0.439486D+01 -0.263913D+01
      5   0.201688D+01 -0.725100D+00 -0.861164D+00  0.123681D+01  0.135977D+00
      6  -0.636850D+01 -0.265444D+01  0.230465D+01 -0.126789D+01  0.742227D+01
                36            37            38            39            40 
      1  -0.120758D+02 -0.171307D+02 -0.285038D+02  0.211825D+01 -0.194303D+02
      2  -0.263390D+00  0.151331D+02  0.221044D+02  0.563019D+00  0.806126D+01
      3   0.123392D+02  0.199763D+01  0.639938D+01 -0.268127D+01  0.113691D+02
      4  -0.285164D+01 -0.365774D+01  0.913024D+00 -0.731369D+00 -0.126024D+01
      5  -0.130781D+01  0.274079D+01  0.143990D+01 -0.845439D+00  0.610681D+00
      6   0.161953D+01 -0.237633D+01 -0.438228D-01  0.530300D+00  0.836449D+01
                41            42            43            44            45 
      1  -0.134455D+02  0.651367D-01  0.250702D+01 -0.118683D+01 -0.142251D+02
      2   0.143323D+02 -0.897368D+00  0.210175D+01  0.119311D+01  0.338179D+01
      3  -0.886774D+00  0.832231D+00 -0.460878D+01 -0.627698D-02  0.108433D+02
      4  -0.495482D+01  0.284996D+01  0.894013D+00  0.240031D+01 -0.139264D+01
      5   0.324313D+01  0.183654D+00  0.213379D+01 -0.264221D+01 -0.103533D+00
      6  -0.300132D+00  0.151100D+01 -0.875652D+00  0.987498D+01  0.113779D+01
                46            47            48            49            50 
      1   0.113770D+02  0.187547D+02 -0.142922D+00 -0.208272D+02  0.148546D+02
      2  -0.125180D+02 -0.130202D+02  0.682033D-01  0.167350D+02 -0.214922D+02
      3   0.114102D+01 -0.573441D+01  0.747190D-01  0.409224D+01  0.663763D+01
      4   0.458143D+01 -0.183872D+02  0.472439D+01  0.117116D+02 -0.615417D+00
      5  -0.314687D+01  0.256925D+01 -0.236257D+01 -0.740266D+00 -0.424830D+01
      6   0.485964D+01 -0.196439D+01  0.114937D+01 -0.250900D+01  0.102721D+02
                51            52            53            54            55 
      1  -0.453113D+01  0.320513D+01 -0.261964D+01 -0.638171D+01  0.230915D+02
      2   0.668748D+01 -0.457139D+01  0.958300D+01 -0.272723D+01 -0.114656D+02
      3  -0.215635D+01  0.136627D+01 -0.696336D+01  0.910894D+01 -0.116259D+02
      4  -0.415879D+01  0.111315D+01 -0.813060D+01 -0.155217D+02 -0.202476D+01
      5  -0.710852D+01  0.771765D+01 -0.158428D+02  0.645760D+01  0.201006D+01
      6   0.417073D+01 -0.529290D+01  0.137447D+02 -0.272375D+01 -0.348204D+01
                56            57            58            59            60 
      1  -0.145065D+02 -0.427827D+01 -0.199617D+02  0.525921D+01 -0.921875D+01
      2   0.110231D+02  0.443769D+01  0.129051D+02  0.906442D+00  0.705689D+01
      3   0.348342D+01 -0.159422D+00  0.705655D+01 -0.616565D+01  0.216186D+01
      4  -0.770721D+01 -0.428078D+01 -0.147110D+02  0.909282D+01 -0.545045D+01
      5  -0.615587D+01 -0.666138D+01 -0.806269D+01 -0.694412D+01  0.139730D+02
      6   0.413916D+01  0.452828D+01  0.794342D+00  0.833262D+01 -0.168923D+02
                61            62            63            64            65 
      1  -0.139182D+01 -0.789755D+01  0.115878D+02 -0.484068D+02  0.143135D+02
      2   0.502766D+01  0.117594D+01 -0.102150D+02  0.247304D+02 -0.950274D+01
      3  -0.363584D+01  0.672162D+01 -0.137285D+01  0.236763D+02 -0.481076D+01
      4  -0.123149D+02  0.186674D+01  0.205012D+02  0.156680D+02  0.348078D+01
      5  -0.159541D+02  0.193928D+02 -0.324881D+01 -0.748244D+01  0.611671D+01
      6   0.168565D+02 -0.234301D+02  0.106481D+02  0.246063D+01  0.136878D+01
                66            67            68            69            70 
      1  -0.480564D+01  0.196216D+02  0.797706D+01  0.883701D+01  0.200179D+01
      2  -0.193228D+01 -0.121319D+02 -0.114944D+02 -0.555729D+00  0.130710D+01
      3   0.673792D+01 -0.748967D+01  0.351737D+01 -0.828128D+01 -0.330889D+01
      4   0.404985D+01 -0.208834D+01 -0.211622D+00  0.647479D+01  0.636224D+01
      5   0.707537D+01  0.105624D+02  0.788062D+01 -0.427417D+01 -0.267555D+01
      6   0.609251D+00  0.244596D+01 -0.105696D+01 -0.447748D+01 -0.275762D+01
                71            72            73            74            75 
      1   0.301688D+01  0.139808D+02  0.303814D+02  0.979627D+01  0.327647D+00
      2   0.919566D+01  0.153778D+02 -0.165319D+02 -0.731229D+01 -0.139504D+01
      3  -0.122125D+02 -0.293586D+02 -0.138495D+02 -0.248398D+01  0.106739D+01
      4   0.782008D+00 -0.135860D+02  0.134156D+02  0.116148D+02 -0.500244D+01
      5  -0.131190D+02 -0.260100D+02 -0.547141D+01 -0.311934D+01  0.949797D+01
      6  -0.130809D+01 -0.110766D+02 -0.836288D+00 -0.711812D+01 -0.408272D+01
                76            77            78            79            80 
      1  -0.798530D+01 -0.677927D+01  0.541197D+00 -0.731099D+01 -0.719690D+00
      2   0.948314D+01  0.152208D+02  0.193037D+01  0.501497D+01 -0.334704D+01
      3  -0.149784D+01 -0.844157D+01 -0.247156D+01  0.229603D+01  0.406673D+01
      4   0.130866D+02  0.104424D+02 -0.626641D+01 -0.637370D+01 -0.620685D+01
      5  -0.488300D+01 -0.570348D+01 -0.308250D+01  0.109387D+02  0.748607D+01
      6  -0.412197D+00 -0.228180D+01  0.106150D+02  0.403325D+01  0.100888D+02
                81            82            83            84            85 
      1  -0.658865D+01 -0.113026D+02 -0.389130D+01 -0.553440D+00  0.225786D+02
      2  -0.440663D+01  0.807689D+01  0.633984D+01  0.223417D+01 -0.199311D+02
      3   0.109953D+02  0.322572D+01 -0.244855D+01 -0.168073D+01 -0.264751D+01
      4   0.919550D+01  0.427986D-01 -0.348066D+01  0.212972D+01 -0.149409D+01
      5  -0.312353D+01 -0.165292D+01  0.103869D+01 -0.689578D+01 -0.253625D+01
      6  -0.277807D+01 -0.106221D+01  0.121533D+01  0.869417D+01 -0.382492D+01
                86            87            88            89            90 
      1   0.434901D+02  0.144311D+01  0.602636D+01  0.689505D+01  0.315765D+02
      2  -0.408646D+02 -0.230818D+01 -0.605383D+01 -0.997297D+01 -0.300071D+02
      3  -0.262552D+01  0.865067D+00  0.274725D-01  0.307792D+01 -0.156937D+01
      4  -0.676295D+01 -0.263794D+01 -0.317328D+01 -0.463189D+01 -0.829514D+01
      5  -0.353624D+01 -0.396711D+01 -0.331434D+01 -0.100714D+02 -0.180811D+01
      6  -0.448440D+01 -0.274025D+02 -0.847254D+01 -0.447996D+02 -0.364939D+01
                91            92            93            94            95 
      1   0.493913D+02  0.244688D+02 -0.237677D+01  0.203593D+02  0.146489D+02
      2  -0.194654D+02 -0.662032D+01  0.120491D+01 -0.123044D+01  0.354418D+01
      3  -0.299259D+02 -0.178484D+02  0.117186D+01 -0.191289D+02 -0.181931D+02
      4   0.464540D+02  0.325027D+02 -0.224033D+01  0.389366D+02  0.380478D+02
      5  -0.546734D+01 -0.273018D+01  0.746827D+01 -0.524122D+01 -0.447335D+01
      6  -0.858539D+00 -0.709329D+00  0.305637D+01 -0.226897D+01 -0.191573D+01
                96            97            98            99           100 
      1  -0.185973D+01 -0.931351D+00 -0.754731D+00  0.724337D+00  0.958497D+02
      2   0.857731D+00 -0.491473D+00 -0.736551D+00  0.201752D+00 -0.528992D+02
      3   0.100200D+01  0.142282D+01  0.149128D+01 -0.926089D+00 -0.429505D+02
      4  -0.365486D+01 -0.414423D+01 -0.377437D+01  0.306081D+01 -0.326761D+02
      5   0.524652D+01  0.273524D+01  0.190643D+01 -0.890602D+00  0.122240D+02
      6   0.415506D+01  0.155503D+01  0.225158D+01 -0.981712D+00 -0.463913D+00
               101           102           103           104           105 
      1  -0.216963D+02  0.854045D+01 -0.198754D+02  0.139934D+02 -0.307226D+01
      2   0.107662D+02 -0.563646D+01  0.840871D+01 -0.568489D+01  0.203641D+01
      3   0.109301D+02 -0.290399D+01  0.114667D+02 -0.830848D+01  0.103585D+01
      4   0.159573D+02 -0.300243D+01  0.234524D+02 -0.129276D+02  0.275169D+01
      5  -0.276607D+01  0.107583D+02 -0.513259D+01  0.279776D+01 -0.337370D+01
      6   0.641210D+00 -0.171401D+01  0.155488D+01 -0.622632D+00  0.222141D+01
               106           107           108           109           110 
      1   0.100285D+02 -0.308966D+01  0.343898D+01 -0.421614D+01  0.636790D+01
      2  -0.552577D+01  0.143358D+01 -0.219988D+01  0.558867D+01 -0.573329D+01
      3  -0.450274D+01  0.165608D+01 -0.123909D+01 -0.137253D+01 -0.634613D+00
      4  -0.608951D+01  0.286494D+01 -0.250517D+01  0.974634D+00  0.703410D+01
      5   0.448032D+01 -0.141714D+01  0.229163D+01 -0.381991D+00 -0.702615D+00
      6  -0.101935D+01  0.127317D+01 -0.757452D+00 -0.153955D+01  0.199366D+01
               111           112           113           114           115 
      1  -0.174061D+01  0.365147D+01 -0.376053D+02  0.723781D+01 -0.123559D+01
      2   0.121641D+01 -0.290963D+01  0.521705D+02 -0.749918D+01  0.136515D+01
      3   0.524201D+00 -0.741839D+00 -0.145652D+02  0.261372D+00 -0.129563D+00
      4  -0.856357D+00  0.543430D+01  0.190662D+02 -0.396564D+01 -0.880745D+00
      5   0.126034D+01 -0.839519D+00 -0.466105D+01  0.239778D+01  0.694258D+00
      6  -0.853986D+00  0.174820D+00 -0.137594D+02  0.896388D+01 -0.210330D+00
               116           117           118           119           120 
      1   0.758387D+01 -0.324942D+01  0.126188D+01 -0.328453D+01  0.624372D+00
      2  -0.913436D+01  0.347088D+01  0.359798D+01 -0.267753D+01  0.113481D+00
      3   0.155050D+01 -0.221458D+00 -0.485986D+01  0.596205D+01 -0.737853D+00
      4  -0.307113D+01 -0.116929D+00 -0.111837D+02  0.159696D+02 -0.293115D+01
      5   0.511489D+00 -0.244756D+00  0.196424D+01 -0.265439D+01  0.280160D+01
      6   0.528699D+01 -0.317340D+01 -0.188854D+01  0.195263D+01 -0.182338D+01
               121           122           123           124           125 
      1   0.136138D+01 -0.247709D+02  0.429150D+01  0.157601D+00  0.432648D+01
      2  -0.846576D+01  0.448133D+02 -0.551047D+01  0.952748D+00 -0.707265D+01
      3   0.710438D+01 -0.200424D+02  0.121898D+01 -0.111035D+01  0.274617D+01
      4   0.175956D+02 -0.432819D+02  0.746464D+01 -0.356599D+01  0.874052D+01
      5  -0.278276D+01  0.669241D+01 -0.492010D+01  0.140408D+01 -0.201923D+01
      6   0.292234D+01 -0.112540D+02  0.857226D+01 -0.149404D+01  0.560223D+01
               126           127           128           129           130 
      1  -0.299739D+01  0.483279D+00 -0.131059D+01  0.279577D+01  0.465485D+01
      2   0.349869D+01 -0.323779D+00  0.245524D+00 -0.201794D+01 -0.451253D+01
      3  -0.501303D+00 -0.159500D+00  0.106506D+01 -0.777839D+00 -0.142328D+00
      4  -0.234872D+01 -0.446372D+01  0.719541D+01 -0.373301D+01  0.107408D+02
      5   0.141272D+01  0.491758D+01 -0.288375D+01  0.729712D+01 -0.332431D+01
      6  -0.303271D+01 -0.556185D+01  0.112026D+01 -0.194942D+01  0.422801D+01
               131           132           133           134           135 
      1  -0.144478D+02  0.947407D+01 -0.681595D+00  0.110572D+02 -0.158722D+02
      2   0.144618D+02 -0.755774D+01 -0.846272D+00 -0.502131D+01  0.492574D+00
      3  -0.140150D-01 -0.191633D+01  0.152787D+01 -0.603588D+01  0.153796D+02
      4  -0.151537D+02  0.735000D+01 -0.567020D+01  0.930480D+01 -0.104732D+02
      5   0.769946D+01 -0.938464D+01  0.101253D+02 -0.108206D+02  0.160481D+02
      6  -0.166017D+02  0.177062D+02 -0.784076D+01  0.188148D+02 -0.236049D+02
               136           137           138           139           140 
      1  -0.221172D+02  0.308665D+02  0.752378D+01  0.296573D+02  0.650470D+01
      2  -0.745082D+01 -0.179777D+02 -0.904029D+01 -0.151374D+02 -0.922375D+01
      3   0.295680D+02 -0.128887D+02  0.151651D+01 -0.145200D+02  0.271906D+01
      4   0.407188D+02 -0.176099D+02  0.481077D+01 -0.912957D+01 -0.249894D+01
      5   0.478932D+01 -0.243555D+00  0.470515D+01  0.305989D+01  0.632125D+00
      6  -0.369191D+01 -0.105111D+02 -0.631027D+01 -0.100346D+02 -0.628306D+01
               141           142           143           144           145 
      1   0.319283D+01  0.584836D+01  0.296192D+01 -0.261176D+01  0.299420D+01
      2  -0.182243D+02 -0.902389D+01 -0.120974D+02  0.139524D+02 -0.413121D+01
      3   0.150315D+02  0.317553D+01  0.913553D+01 -0.113407D+02  0.113701D+01
      4  -0.458982D+00  0.182250D+02 -0.837469D+01 -0.186958D+02  0.369020D+00
      5  -0.160593D+02  0.111406D+02 -0.187259D+02  0.163950D+01  0.416456D+01
      6   0.672495D+01 -0.147196D+02  0.114931D+02  0.532638D+01  0.138177D+01
               146           147           148           149           150 
      1   0.904173D+00  0.786477D+01  0.530089D+00 -0.641287D+01 -0.604854D+01
      2   0.164935D+00 -0.689521D-01 -0.129692D+01  0.143717D+01 -0.198020D+01
      3  -0.106911D+01 -0.779582D+01  0.766836D+00  0.497570D+01  0.802874D+01
      4  -0.896002D+00  0.724621D+00  0.328111D+01  0.609479D+01  0.691777D+01
      5   0.211322D+00  0.103507D+01  0.325304D+01  0.605444D+01  0.921887D+01
      6  -0.806903D+00 -0.141393D+01  0.137821D+01  0.661752D+01  0.114720D+02
               151           152           153           154           155 
      1   0.417372D+01 -0.409902D+01 -0.174549D+02  0.785051D+02 -0.915331D+01
      2  -0.768871D+01 -0.294548D+01 -0.232427D+02 -0.442724D+02  0.505411D+01
      3   0.351499D+01  0.704450D+01  0.406976D+02 -0.342327D+02  0.409920D+01
      4   0.234913D+01  0.761316D+01  0.861707D+01 -0.888032D+01  0.102099D+02
      5   0.132349D+02  0.783316D+01  0.362859D+02  0.176152D+02 -0.229715D+01
      6   0.240165D+01  0.722253D+01  0.127141D+02 -0.134162D+01  0.117698D+01
               156           157           158           159           160 
      1   0.608058D+01 -0.147887D+02  0.796516D+01 -0.233795D+01 -0.155896D+01
      2  -0.554531D+01  0.829856D+01 -0.298289D+01  0.105050D+01 -0.887649D+00
      3  -0.535272D+00  0.649017D+01 -0.498227D+01  0.128745D+01  0.244661D+01
      4  -0.708586D+00  0.130062D+02 -0.588971D+01  0.497977D+00 -0.436976D+00
      5   0.104213D+02 -0.477238D+01  0.132252D+01 -0.183943D+01  0.113104D+02
      6  -0.421765D+00  0.222799D+01 -0.124325D+01  0.222562D+01 -0.831770D+00
               161           162           163           164           165 
      1  -0.256904D+00  0.599548D+01 -0.871360D+00  0.294462D+01  0.115177D+01
      2  -0.766326D+00 -0.579294D+01  0.208302D+01 -0.259566D+01 -0.159448D+01
      3   0.102323D+01 -0.202546D+00 -0.121166D+01 -0.348964D+00  0.442715D+00
      4  -0.927430D+00 -0.355904D+00  0.313319D+01  0.804450D+01  0.471585D+01
      5  -0.753733D+00  0.356968D+01  0.195697D+01  0.309931D+01  0.523886D+01
      6   0.131380D+01  0.350187D+00  0.680894D+01  0.408496D+00  0.908295D+00
               166           167           168           169           170 
      1  -0.501635D+01 -0.334044D+02 -0.119118D+02 -0.274644D+01 -0.262278D+02
      2   0.677908D+01  0.419745D+02  0.143551D+02  0.329795D+01  0.273361D+02
      3  -0.176273D+01 -0.857010D+01 -0.244327D+01 -0.551510D+00 -0.110824D+01
      4   0.714700D+01  0.109629D+02  0.412744D+01  0.848655D+01  0.821888D+01
      5   0.266975D+01  0.434905D+01  0.318354D+01  0.560177D+01  0.746899D+01
      6   0.369523D+01  0.225398D+02  0.176590D+02  0.700005D+01  0.328944D+02
               171           172           173           174           175 
      1  -0.222820D+02  0.996296D-01  0.386427D+01 -0.312908D+01 -0.475015D+01
      2   0.170412D+02  0.386235D+00 -0.400612D+01  0.205128D+01  0.552358D+01
      3   0.524074D+01 -0.485864D+00  0.141846D+00  0.107779D+01 -0.773432D+00
      4   0.624186D+01  0.828718D+00  0.660285D+01 -0.443067D+01  0.552868D+01
      5   0.601601D+01 -0.109004D+01 -0.262278D+01  0.362346D+01 -0.163424D+01
      6   0.261456D+02 -0.535166D+01  0.227352D+01 -0.146221D+01 -0.235745D+01
               176           177           178           179           180 
      1  -0.283096D+02  0.127772D+02  0.129444D+01  0.203480D+02 -0.215489D+02
      2   0.339566D+02 -0.140912D+02 -0.144088D+01 -0.193485D+02  0.146339D+02
      3  -0.564701D+01  0.131399D+01  0.146435D+00 -0.999521D+00  0.691506D+01
      4   0.789519D+01 -0.313606D+01 -0.588663D+01 -0.529814D+01  0.485584D+01
      5  -0.397590D+01  0.361521D+01  0.401122D+01  0.645791D+01 -0.531784D+01
      6  -0.204199D+02  0.181326D+02  0.540615D+01  0.279355D+02 -0.239369D+02
               181           182           183           184           185 
      1   0.375682D+01 -0.180235D+01 -0.443037D+01  0.779956D+00 -0.847576D+00
      2  -0.359002D+01  0.573047D+00  0.390148D+01 -0.241692D+01 -0.541216D+01
      3  -0.166798D+00  0.122930D+01  0.528896D+00  0.163696D+01  0.625974D+01
      4  -0.277215D+01  0.214562D+01  0.426954D+00 -0.246891D+00  0.758797D+01
      5  -0.496568D+01 -0.147818D+01  0.498705D+01 -0.570850D+01 -0.357473D+01
      6   0.873144D+00  0.111364D+01  0.574080D+00  0.154885D+01 -0.255611D+01
               186           187           188           189           190 
      1   0.197649D+01 -0.375817D+01 -0.629535D+00 -0.806436D+01  0.452905D+02
      2   0.119222D+02  0.617359D+01  0.950712D+01 -0.197390D+02 -0.993872D+01
      3  -0.138987D+02 -0.241542D+01 -0.887758D+01  0.278034D+02 -0.353517D+02
      4  -0.353983D+01  0.811674D+00 -0.535521D+01  0.546212D+01 -0.527353D+02
      5   0.120403D+02  0.841180D+01  0.505628D+01 -0.206826D+02 -0.144086D+02
      6  -0.180333D+01 -0.127904D+01  0.278631D+01  0.751419D+01  0.595020D+01
               191           192           193           194           195 
      1  -0.145201D+02 -0.508867D-01 -0.101822D+02  0.301125D+01 -0.103113D+01
      2  -0.350358D+01  0.185723D+01 -0.487616D+01  0.956346D+01  0.144004D+01
      3   0.180236D+02 -0.180634D+01  0.150584D+02 -0.125747D+02 -0.408911D+00
      4   0.321281D+02  0.323901D+01  0.268398D+02 -0.224259D+02 -0.133202D+01
      5   0.676892D+01  0.965615D+01  0.436100D+01 -0.347538D+01 -0.237862D+01
      6  -0.432219D+01 -0.635997D+01 -0.231405D+01  0.401850D+01  0.357456D+01
               196           197           198           199           200 
      1   0.425649D+01 -0.110549D+01  0.407540D+01 -0.694147D+01 -0.171211D+02
      2   0.160569D+01 -0.131364D+01 -0.267865D+01  0.965036D+01  0.184952D+02
      3  -0.586218D+01  0.241913D+01 -0.139675D+01 -0.270889D+01 -0.137406D+01
      4  -0.721728D+01  0.491807D+01 -0.408326D+01  0.287708D+01  0.282202D+01
      5   0.733544D+01 -0.200836D+01  0.120092D+00  0.271120D+01  0.685066D+00
      6  -0.455098D+01  0.272883D+01 -0.116262D+01  0.432343D+01  0.103295D+02
               201           202           203           204           205 
      1  -0.807302D+01 -0.120342D+02 -0.270614D+02 -0.108061D+02 -0.369659D+01
      2   0.591215D+01  0.107234D+02  0.363438D+02  0.110176D+02  0.265183D+01
      3   0.216088D+01  0.131084D+01 -0.928236D+01 -0.211570D+00  0.104476D+01
      4  -0.144864D+00  0.713553D+01 -0.636910D+01 -0.229259D+01 -0.501870D+00
      5  -0.855848D+00  0.264805D+01 -0.171809D+01 -0.103062D+01  0.114386D+01
      6   0.844437D+01  0.450736D+01  0.179841D+02  0.112748D+02  0.439294D+01
               206           207 
      1  -0.901302D+01 -0.911589D+01
      2   0.754897D+01  0.444371D+01
      3   0.146405D+01  0.467217D+01
      4  -0.535785D+00  0.129646D+01
      5  -0.783397D-01 -0.164433D+01
      6   0.103261D+02  0.829711D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.226347D+00      0.575317D+00      0.191905D+01
   y          0.189666D+00      0.482084D+00      0.160806D+01
   z         -0.308094D+00     -0.783097D+00     -0.261213D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.139945D+03      0.207377D+02      0.230738D+02
   yx        -0.282459D+01     -0.418560D+00     -0.465711D+00
   yy         0.123418D+03      0.182887D+02      0.203489D+02
   zx         0.287768D+01      0.426428D+00      0.474465D+00
   zy        -0.388014D+01     -0.574978D+00     -0.639749D+00
   zz         0.804671D+02      0.119240D+02      0.132672D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.121705D+03      0.180349D+02      0.200665D+02
   aniso      0.576973D+02      0.854986D+01      0.951300D+01
   xx         0.149366D+03      0.221337D+02      0.246271D+02
   yx        -0.248291D+01     -0.367930D+00     -0.409377D+00
   yy         0.130373D+03      0.193192D+02      0.214955D+02
   zx         0.276215D+01      0.409308D+00      0.455417D+00
   zy        -0.399227D+01     -0.591593D+00     -0.658236D+00
   zz         0.853784D+02      0.126518D+02      0.140770D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.66220243         -0.83929219          3.54989462
     6          4.66476626          1.25623974          2.31679814
     6          1.31896453         -1.76693413          2.83444931
     6         -0.06333214         -0.63268118          0.89704235
     6          0.94850526          1.47008224         -0.33271392
     6          3.30472591          2.39897540          0.39150176
     6         -2.60382006         -1.68251464          0.10436484
     6         -4.06600245          0.33679553         -1.34717779
     8         -2.56923868          1.34538785         -3.33249771
     6         -0.52623406          2.78670377         -2.39072981
     1          4.70441885         -1.74128215          5.06108897
     1          6.49630156          1.99076441          2.85463850
     1          0.53275239         -3.39560187          3.79687613
     1          4.08091096          4.03222583         -0.57264486
     1         -3.67930483         -2.14309546          1.81176297
     6         -2.30054647         -4.09564630         -1.47271244
     1         -4.65982098          1.85995797         -0.06673155
     1         -5.74753054         -0.45747117         -2.23388248
     1         -1.23032680          4.60840651         -1.67092280
     1          0.69143089          3.18777572         -4.00508959
     1         -1.34355663         -3.67049862         -3.24745136
     1         -4.14225117         -4.92038558         -1.90762434
     1         -1.18449193         -5.50425137         -0.46433365

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.426765D+00      0.108473D+01      0.361827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.126668D+03      0.187703D+02      0.208848D+02
   yx         0.148868D+02      0.220599D+01      0.245450D+01
   yy         0.112526D+03      0.166746D+02      0.185530D+02
   zx         0.207075D+02      0.306853D+01      0.341420D+01
   zy        -0.141025D+02     -0.208978D+01     -0.232519D+01
   zz         0.104636D+03      0.155055D+02      0.172522D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.121705D+03      0.180349D+02      0.200665D+02
   aniso      0.576973D+02      0.854986D+01      0.951300D+01
   xx         0.134610D+03      0.199471D+02      0.221941D+02
   yx         0.154717D+02      0.229267D+01      0.255094D+01
   yy         0.118966D+03      0.176289D+02      0.196148D+02
   zx         0.226861D+02      0.336173D+01      0.374043D+01
   zy        -0.147295D+02     -0.218268D+01     -0.242856D+01
   zz         0.111541D+03      0.165287D+02      0.183907D+02

 ----------------------------------------------------------------------
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 OUR LITTLE SYSTEMS HAVE THEIR DAY,    
   THEY HAVE THEIR DAY AND CEASE TO BE.
   THEY ARE BUT BROKEN LIGHTS OF THEE, 
 AND THOU, OH LORD, ART MORE THAN THEY.
          -------------------          
 LET KNOWLEDGE GROW FROM MORE TO MORE, 
   BUT MORE OF REVERENCE IN US DWELL.  
   THAT MIND AND SOUL, ACCORDING WELL, 
 MAY MAKE ONE MUSIC AS BEFORE.....     
          -------------------          
                    LORD TENNYSON      
 Job cpu time:       0 days  4 hours 26 minutes 15.7 seconds.
 Elapsed time:       0 days  0 hours 33 minutes 42.1 seconds.
 File lengths (MBytes):  RWF=    288 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Sun Jul 18 13:39:25 2021.
